SCHEMBL101137

SCHEMBL101137

[c]1[c]nc2ccccc2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.39
ALDH1A1 P00352 4/20 0.39
HPGD P15428 2/20 0.39
GLA P06280 1/20 0.39
ACHE P22303 1/20 0.39
NQO2 P16083 3/20 0.37
KDM4E B2RXH2 3/20 0.33
NCF1 P14598 3/20 0.33
CYP1A2 P05177 3/20 0.33
NOS2 P35228 1/20 0.33
BACE1 P56817 1/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
GAA P10253 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
GPR3 P46089 1/20 0.32
EGFR P00533 1/20 0.32
CYP2A6 P11509 1/20 0.32
ALOX12 P18054 1/20 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
SCHEMBL6538649 0.72
SCHEMBL18929849 0.71 MAPT (0.39) MAPTALDH1A1HPGDGLAACHE
SCHEMBL3936849 0.71 MAP4K4 (0.30)
SCHEMBL3929426 0.71 KDM4E (0.31) ALDH1A1KDM4ECYP1A2
SCHEMBL400612 0.70 MAPT (0.47) MAPTALDH1A1HPGDGLAACHE
SCHEMBL3938298 0.68 ALDH1A1 (0.43) MAPTALDH1A1KDM4ECYP1A2HSD17B10
SCHEMBL6345143 0.67 LMNA (0.38) MAPTALDH1A1KDM4ECYP1A2TDP1
SCHEMBL129037 0.67 CYP2A6 (0.50) MAPTALDH1A1HPGDGLAACHE
SCHEMBL6700746 0.64 MAPT (0.65) MAPTALDH1A1HPGDGLAACHE
SCHEMBL2910 0.63 CYP1A2 (0.44) MAPTALDH1A1HPGDGLAACHE

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 2477 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240208992-A1 MACROCYCLES AS CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-06-27 US claimed
US-20240190883-A1 KRAS PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2024-06-13 US claimed
US-20240174643-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS BIOTHERYX, INC. (US) 2024-05-30 US claimed
CN-118076602-A Heteroaryl-acetylenes, pharmaceutical compositions thereof and their therapeutic uses 嘉兴优博生物技术有限公司 2024-05-24 CN claimed
EP-4355741-A1 SOS1 PROTEIN DEGRADERS, PHARMACEUTICAL COMPOSITIONS THEREOF, AND THEIR THERAPEUTIC APPLICATIONS Biotheryx, Inc. (US) 2024-04-24 EP claimed
WO-2024056798-A1 MACROCYCLIC CFTR MODULATORS IDORSIA PHARMACEUTICALS LTD (CH) 2024-03-21 WO claimed
EP-4308575-A1 MACROCYCLES AS CFTR MODULATORS Idorsia Pharmaceuticals Ltd (CH) 2024-01-24 EP claimed
CN-116981672-A Macrocyclic compounds as CFTR modulators 爱杜西亚药品有限公司 2023-10-31 CN claimed
CN-111465596-B Pyridinium salt and pest control agent 日本曹达株式会社 2023-09-22 CN claimed
CN-115745898-A Aromatic acrylamide-triazole compound, and preparation method and application thereof 许昌学院 2023-03-07 CN claimed
CN-1489601-A Multinuclear metallocene catalyst ������ѧ��ʽ���� 2004-04-14 CN claimed
US-20030008797-A1 Ligand and complex for catalytically bleaching a substrate UNILEVER HOME & PERSONAL CARE USA, DIVISION OF CONOPCO, INC. 2003-01-09 US claimed
WO-2002077147-A1 LIGAND AND COMPLEX FOR CATALYTICALLY BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-10-03 WO claimed
US-20020135292-A1 Electroconductive device, organic electroluminescence device using the device and process for producing the electroconductive device CANON KABUSHIKI KAISHA (JP) 2002-09-26 US claimed
EP-1227084-A1 DRUG DISCHARGE PUMP INHIBITORS Microcide Pharmaceuticals, Inc. (US) 2002-07-31 EP claimed
US-5932363-A LUMINESCENT COMPOSITION COMPRISED OF MIXTURE OF FLUORESCENT DYE AND SPECIFIED METAL CHELATE COMPOUND XEROX CORPORATION (US) 1999-08-03 US claimed
US-5648448-A Method of preparation of polyquinolines HITACHI CHEMICAL COMPANY, LTD. (JP) 1997-07-15 US claimed
US-5374416-A Nitrogenous macrocyclic ligands, polymetallic complexes and diagnostic and therapeutic composition GUERBET S.A. (FR) 1994-12-20 US claimed
US-5367038-A Polyisoquinolinediyls and uses thereof TOKYO INSTITUTE OF TECHNOLOGY (JP) 1994-11-22 US claimed
US-5081245-A Selective antitumor agents TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-01-14 US claimed