SCHEMBL65514

SCHEMBL65514

Cc1cccc2[nH]ccc12

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.56
ATM Q13315 1/20 0.52
CYP2A6 P11509 2/20 0.48
CYP1A2 P05177 1/20 0.48
PIK3CD O00329 1/20 0.46
RHEB Q15382 4/20 0.43
MAPK1 P28482 1/20 0.43
ADRB1 P08588 1/20 0.43
HTR6 P50406 1/20 0.43
MAPK14 Q16539 1/20 0.42
KIF11 P52732 1/20 0.42
DHFR P00374 1/20 0.42
BRD4 O60885 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TRPA1 O75762 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ITGB2 P05107 1/20 0.41
ICAM1 P05362 1/20 0.41
ITGAL P20701 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29810241 1.00 AHR (0.56) AHRATMCYP2A6CYP1A2PIK3CD
Methane SCHEMBL27929618 0.98 AHR (0.54) AHRATMCYP2A6CYP1A2PIK3CD
Pyrrole SCHEMBL28087218 0.92 AHR (0.48) AHRATMCYP2A6CYP1A2PIK3CD
Pyridine SCHEMBL28523843 0.87 PIK3CD (0.53) AHRATMCYP2A6CYP1A2PIK3CD
Pyrimidine SCHEMBL28436109 0.87 PIK3CD (0.49) AHRATMCYP2A6CYP1A2PIK3CD
SCHEMBL4206976 0.85 RHEB (0.48) AHRCYP1A2RHEBMAPK1ADRB1
SCHEMBL8192768 0.82 CYP1A2 (0.49) AHRCYP2A6CYP1A2RHEBDHFR
Tert-Butyl Formate SCHEMBL27772017 0.81 TDP1 (0.41) AHRATMPIK3CDRHEBMAPK14
Ethoxycarbonyl Group SCHEMBL27369293 0.80 AHR (0.39) AHRATMCYP1A2RHEBMAPK14
Iodide SCHEMBL8578120 0.79 ATM (0.39) AHRATMPIK3CDRHEBMAPK14

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Appears in 4333 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119857098-A Application of indole triazole derivative in preparation of drug-resistant candida albicans drug 云南中医药大学 2025-04-22 CN claimed
EP-4330184-B1 METHOD FOR SYNTHESISING A LIQUID ORGANIC HYDROGEN CARRIER (LOHC) LOADED WITH HYDROGEN USING HYDROGEN PRODUCED FROM A METHANISATION DIGESTATE COMMISSARIAT ENERGIE ATOMIQUE (FR) 2025-02-12 EP claimed
CN-118546083-B Method and system for synthesizing indole and derivative thereof by alcohol amine method 陕西氢易能源科技有限公司 2024-12-03 CN claimed
CN-118546083-A Method and system for synthesizing indole and derivative thereof by alcohol amine method 陕西氢易能源科技有限公司 2024-08-27 CN claimed
US-20240228269-A9 METHOD FOR SYNTHESISING A LIQUID ORGANIC HYDROGEN CARRIER (LOHC) LOADED WITH HYDROGEN USING HYDROGEN PRODUCED FROM A METHANISATION DIGESTATE COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2024-07-11 US claimed
WO-2024148272-A1 AZA BICYCLIC HETEROARYL DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2024-07-11 WO claimed
US-20240218022-A1 ANTI-VISTA MACROCYCLIC PEPTIDES AND COMPOSITIONS BRISTOL-MYERS SQUIBB COMPANY (US) 2024-07-04 US claimed
US-20240209005-A1 BICYCLIC HETEROARYL BORONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-27 US claimed
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-20 US claimed
US-20240132343-A1 METHOD FOR SYNTHESISING A LIQUID ORGANIC HYDROGEN CARRIER (LOHC) LOADED WITH HYDROGEN USING HYDROGEN PRODUCED FROM A METHANISATION DIGESTATE COMMISSARIAT ENERGIE ATOMIQUE (FR) 2024-04-25 US claimed
EP-0743573-B1 Method for obtaining image contrast migration imaging members XEROX CORP (US) 2000-09-06 EP claimed
EP-0673782-B1 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORP (US) 2000-06-14 EP claimed
US-5657064-A Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1997-08-12 US claimed
US-5582942-A BINDER RESIN COMPRISES A COPOLYMER INCLUDING A (METH)ACRYLIC ACID ESTER CONTAINING AN AROMATIC RING AND A VINYL MONOMER HAVING ONE TO THREE ACID FUNCTIONAL GROUPS FUJI PHOTO FILM CO., LTD. (JP) 1996-12-10 US claimed
EP-0743573-A2 Method for obtaining image contrast migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
EP-0743574-A2 Migration imaging members XEROX CORPORATION (US) 1996-11-20 EP claimed
US-5563014-A SOFTENABLE LAYER CONTAINIG PHOTOSENSITIVE MARKING MATERIAL; TRANSPARENTIZING AGENT XEROX CORPORATION (US) 1996-10-08 US claimed
US-5514505-A SELECTIVE TRANSPARENTIZATION OF PHOTOSENSITIVE MIGRATION MARKING PARTICLES EMBEDDED NEAR THE SURFACE OF A SOFTENABLE LAYER SUPPORTED BY AN ELECTROCONDUCTIVE SUBSTRATE XEROX CORPORATION (US) 1996-05-07 US claimed
EP-0673782-A2 Recording sheets containing pyrrole, pyrrolidine, pyridine, piperidine, homopiperidine, quinoline, isoquinoline, quinuclidine, indole, and indazole compounds XEROX CORPORATION (US) 1995-09-27 EP claimed
EP-0046953-B1 AMINO ACID DERIVATIVES, PROCESSES FOR THEIR PREPARATION, COMPOSITIONS CONTAINING THEM AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1989-12-06 EP claimed