SCHEMBL16565

SCHEMBL16565

[c]1ccc2ncccc2n1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
MAPT P10636 5/20 0.41
KDM4E B2RXH2 4/20 0.41
POLB P06746 3/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
PDK1 Q15118 1/20 0.34
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP3A4 P08684 2/20 0.33
USP2 O75604 1/20 0.33
HTT P42858 4/20 0.32
LMNA P02545 3/20 0.32
HSP90AA1 P07900 3/20 0.32
CASP1 P29466 2/20 0.32
HSP90AB1 P08238 2/20 0.32
HIF1A Q16665 2/20 0.32
TP53 P04637 2/20 0.32
TSHR P16473 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32

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
SCHEMBL21878563 0.82 ALDH1A1 (0.42) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL30099834 0.77 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL8194 0.77 ALDH1A1 (0.67) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL2016968 0.77 MAPT (0.64) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL2671574 0.75 NPC1 (0.47) ALDH1A1MAPTKDM4EPOLBNPC1
Hydrochloric Acid SCHEMBL3704751 0.74 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
Hydrochloric Acid SCHEMBL3439030 0.74 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
Water SCHEMBL28824188 0.74 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
Hydrochloric Acid SCHEMBL3710107 0.74 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1
SCHEMBL28519048 0.74 ALDH1A1 (0.63) ALDH1A1MAPTKDM4EPOLBNPC1

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 5773 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12018030-B2 Pyrrolo and pyrazolopyrimidines as ubiquitin-specific protease 7 inhibitors VALO HEALTH, INC. (US) 2024-06-25 US claimed
US-20240190901-A1 ORGANIC ELECTROLUMINESCENT MATERIALS AND DEVICES UNIVERSAL DISPLAY CORPORATION (US) 2024-06-13 US claimed
WO-2024106781-A1 LIPID COMPOUND AND COMPOSITION FOR DELIVERY OF ACTIVE SUBSTANCE 한국생명공학연구원 2024-05-23 WO claimed
US-11987588-B2 Modulators of the beta-3 adrenergic receptor useful for the treatment or prevention of heart failure and disorders related thereto ARENA PHARMACEUTICALS, INC. (US) 2024-05-21 US claimed
EP-4368618-A1 SIX-MEMBERED ARYL OR HETEROARYL AMIDES, AND COMPOSITION AND USE THEREOF Betta Pharmaceuticals Co., Ltd (CN) 2024-05-15 EP claimed
CN-118026880-A Aryl amide compound, pharmaceutical composition containing same and application thereof 华东师范大学 2024-05-14 CN claimed
CN-117940409-A Acrylamide compound and application thereof 南京明德新药研发有限公司 2024-04-26 CN claimed
CN-117925221-A Deuterated composition containing nitrogen-containing heterocyclic compound and organic electroluminescent device 阜阳欣奕华材料科技有限公司 2024-04-26 CN claimed
US-11952460-B2 Polycarbonate resin, method for producing the same, and optical lens MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2024-04-09 US claimed
CN-117715898-A Six-membered aryl or heteroaryl amide compound, composition and application thereof 贝达药业股份有限公司 2024-03-15 CN claimed
US-5300497-A Broad spectrum antibiotics and bactericides; stable to beta-lactamase; effective against antibiotic-resistant bacteria TOYAMA CHEMICAL CO., LTD. (JP) 1994-04-05 US claimed
US-5296499-A Osteoporosis TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-03-22 US claimed
US-5185330-A Penicillins/ad/ TOYAMA CHEMICAL CO., LTD. (JP) 1993-02-09 US claimed
EP-0289430-B1 SWEETENERS DERIVED FROM GUANIDINOACETIC AND ETHANAMIDINOACETIC ACIDS, THEIR USES AND COMPOSITIONS CONTAINING THESE SWEETENERS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1992-04-08 EP claimed
US-4822790-A ANTIMICROBIOCIDES OR BETA-LACTAMASE INHIBITORS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1989-04-18 US claimed
US-4536208-A Certain naphthyridine diether compounds and their herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-20 US claimed
US-4533381-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1985-08-06 US claimed
US-4472193-A Naphthyridinyloxy(or thio)phenoxy propanoic acids, derivatives thereof and methods of herbicidal use THE DOW CHEMICAL COMPANY (US) 1984-09-18 US claimed
US-4416817-A BACTERICIDES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1983-11-22 US claimed
US-4113867-A ANTHELMINTICS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1978-09-12 US claimed