SCHEMBL208617

SCHEMBL208617

[C]1NCc2ccccc2N1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
PLAU P00749 1/20 0.38
HTR5A P47898 5/20 0.37
PNMT P11086 1/20 0.37
CD44 P16070 1/20 0.37
MAOB P27338 1/20 0.37
GAA P10253 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
AHR P35869 1/20 0.34
PDK2 Q15119 1/20 0.34
KDM4E B2RXH2 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MAPT P10636 1/20 0.34
THRB P10828 1/20 0.34
HK1 P19367 1/20 0.34
MAPK1 P28482 1/20 0.34

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
SCHEMBL832129 0.74 PNMT (0.39) ALOX15HSD17B10HTR5APNMTCD44
SCHEMBL20307 0.68
SCHEMBL1926927 0.68
SCHEMBL2041999 0.67
SCHEMBL1828551 0.67
SCHEMBL30668800 0.67
SCHEMBL19678 0.67
SCHEMBL1267195 0.67 PLAU (0.45) ALOX15HSD17B10PLAUHTR5AGAA
Ammonia Solution, Strong SCHEMBL7208186 0.65
SCHEMBL124019 0.65 ALOX15 (0.50) ALOX15HSD17B10HTR5APNMTCD44

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 2173 patents — a generic fragment claimed broadly, so it's down-weighted as IP noise. Top by claim status then date:

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3921316-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2021-12-15 EP claimed
EP-3386511-B1 METHODS FOR TREATING HUNTINGTON'S DISEASE PTC THERAPEUTICS INC (US) 2021-05-12 EP claimed
US-10874672-B2 Methods for treating Huntington's disease PTC THERAPEUTICS, INC. (US) 2020-12-29 US claimed
US-10870630-B2 Substituted bicyclic heteroaryl allosteric modulators of nicotinic acetylcholine receptors MERCK SHARP & DOHME CORP. 2020-12-22 US claimed
WO-2020163193-A1 BICYCLIC ETHER O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLUCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2020-08-13 WO claimed
US-10450318-B2 CXCR4 receptor antagonists BRISTOL-MYERS SQUIBB COMPANY (US) 2019-10-22 US claimed
US-20190308945-A1 SUBSTITUTED BICYCLIC HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS MERCK SHARP & DOHME CORP. (US) 2019-10-10 US claimed
EP-3534888-A1 SUBSTITUTED BICYCLIC HETEROARYL ALLOSTERIC MODULATORS OF NICOTINIC ACETYLCHOLINE RECEPTORS Merck Sharp & Dohme Corp. (US) 2019-09-11 EP claimed
EP-2907802-B1 CYCLOPROPANAMINE COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICALS CO (JP) 2019-08-07 EP claimed
US-20180327409-A1 CXCR4 RECEPTOR ANTAGONISTS BRISTOL-MYERS SQUIBB COMPANY 2018-11-15 US claimed
US-20020058809-A1 Compounds useful as reversible inhibitors of cysteine proteases EMMANUEL MICHEL JOSE (US) 2002-05-16 US claimed
US-6277987-B1 FOR INHIBITING MATRIX-DEGRADING METALLOPROTEINASES IN MAMMALS NOVARTIS AG (CH) 2001-08-21 US claimed
WO-2001019816-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS USEFUL AS REVERSIBLE INHIBITORS OF CYSTEINE PROTEASES BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-03-22 WO claimed
EP-1053226-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES Novartis AG (CH) 2000-11-22 EP claimed
EP-0995742-A1 SULFONAMIDE COMPOUNDS AND MEDICINAL USE THEREOF FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-04-26 EP claimed
WO-1999042443-A1 SULFONYLAMINO DERIVATIVES WHICH INHIBIT MATRIX-DEGRADING METALLOPROTEINASES NOVARTIS AG (CH) 1999-08-26 WO claimed
WO-1996030054-A1 99mTc - LABELLED SEROTONIN RECEPTOR BINDING SUBSTANCES MALLINCKRODT MEDICAL, INC. (US) 1996-10-03 WO claimed
US-5225589-A Organic compositions and their manufacture EASTMAN KODAK COMPANY (US) 1993-07-06 US claimed
EP-0035228-B1 TETRAZOLE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF, AND ANTI-ULCER COMPOSITION CONTAINING THE SAME OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1985-01-02 EP claimed
US-4372953-A Tetrazole derivatives, and anti-ulcer composition containing the same OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1983-02-08 US claimed