SCHEMBL18981

SCHEMBL18981

[c]1cccc2ccncc12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TNF P01375 1/20 0.36
KDM4E B2RXH2 2/20 0.35
CYP1A2 P05177 2/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
MAPKAPK2 P49137 1/20 0.35
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
HTT P42858 2/20 0.32
POLB P06746 1/20 0.32
RAD52 P43351 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP2A6 P11509 1/20 0.31
MAPT P10636 1/20 0.31
NCOA3 Q9Y6Q9 1/20 0.30
CYP19A1 P11511 1/20 0.30

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
SCHEMBL18987 0.83 CYP1A2 (0.39) TNFKDM4ECYP1A2CYP3A4LMNA
SCHEMBL27606375 0.81 CYP1A2 (0.38) TNFKDM4ECYP1A2CYP3A4LMNA
SCHEMBL17511900 0.79 CLK1 (0.40) KDM4ECYP1A2CYP3A4LMNACYP2D6
SCHEMBL17511944 0.79 CLK1 (0.40) KDM4ECYP1A2CYP3A4LMNACYP2D6
SCHEMBL17511952 0.75 KDM4E (0.42) TNFKDM4EHTTPOLBRAD52
SCHEMBL81524 0.73
Pyridine SCHEMBL28171568 0.72 TSHR (0.38) KDM4E
SCHEMBL7474298 0.72 TNF (0.43) TNFKDM4ECYP1A2CYP3A4LMNA
SCHEMBL199205 0.72 SIGMAR1 (0.36) CYP1A2CYP3A4LMNASIGMAR1ALDH1A1
SCHEMBL276594 0.71 PRKCZ (0.33) KDM4ECYP1A2CYP3A4LMNACYP2D6

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 10439 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4361141-A1 PROTEIN DEGRADATION AGENT Suzhou Kintor Pharmaceuticals, Inc. (CN) 2024-05-01 EP claimed
CN-117836296-A Pyrazolopyridone compounds 百济神州有限公司 2024-04-05 CN claimed
WO-2024073282-A2 HETEROCYCLES AS MODULATORS OF NSD ACTIVITY BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-04-04 WO claimed
CN-117813306-A Heterocyclic compounds as KRAS inhibitors, their preparation and therapeutic use 上海科州药物研发有限公司 2024-04-02 CN claimed
US-20240101546-A1 HETEROARYL-ACETYLENES, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS EUBULUS BIOTHERAPEUTICS INC (CN) 2024-03-28 US claimed
WO-2024046370-A1 HETEROCYCLIC COMPOUNDS AS KRAS INHIBITORS, AND PREPARATION AND THERAPEUTIC USE THEREOF 上海科州药物研发有限公司 2024-03-07 WO claimed
EP-4329757-A1 HETEROCYCLIC COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2024-03-06 EP claimed
WO-2024040497-A1 ANTIVIRAL COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 清华大学 2024-02-29 WO claimed
CN-117561063-A Heterocyclic compounds and methods of use 安进公司 2024-02-13 CN claimed
CN-117545749-A Protein degradation agent 苏州开拓药业股份有限公司 2024-02-09 CN claimed
WO-1991000276-A1 BIPYRIDYLES, PROCESS FOR MAKING THEM AND THEIR USE RIEDEL-DE HAEN AKTIENGESELLSCHAFT (DE) 1991-01-10 WO claimed
WO-1991000281-A2 FUSED-RING ARYL SUBSTITUTED IMIDAZOLES E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-01-10 WO claimed
EP-0167820-B1 PROCESS FOR THE PREPARATION OF OPTIONALLY SUBSTITUTED BENZ(C,D)-INDOL-2-ONES (NAPHTHOLACTAMES) BAYER AG (DE) 1989-04-26 EP claimed
EP-0267740-A1 Naphthyridine and pyridopyrazine compounds and pharmaceutical usage thereof SCHERING CORPORATION (US) 1988-05-18 EP claimed
EP-0253178-A1 Substituted 1,5-benzodiazepine compounds E.R. Squibb & Sons, Inc. (US) 1988-01-20 EP claimed
US-4650797-A HYPOTENSIVES E. R. SQUIBB & SONS, INC. (US) 1987-03-17 US claimed
US-4647561-A HYPOTENSIVE AGENTS E. R. SQUIBB & SONS, INC. (US) 1987-03-03 US claimed
EP-0204317-A2 2-Thio or oxo-4-aryl or heterocyclo-1,5(2H)-pyrimidinedicarboxylic acid diesters and 3-acyl-5-pyrimidinecarboxylic acids and esters E.R. Squibb & Sons, Inc. (US) 1986-12-10 EP claimed
EP-0030198-B1 ISOQUINOLINE DERIVATIVES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM RHONE-POULENC SANTE (FR) 1983-03-02 EP claimed
US-4363909-A ANTIVIRAL AGENTS RHONE POULENC INDUSTRIES (FR) 1982-12-14 US claimed