SCHEMBL8632475

SCHEMBL8632475

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2ccccc2C2=NOCCO2)n1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CDK1 P06493 1/20 0.47
MAPT P10636 3/20 0.41
TP53 P04637 1/20 0.41
GLA P06280 1/20 0.41
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
EDNRB P24530 1/20 0.36
EDNRA P25101 1/20 0.36

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
SCHEMBL3781439 0.88 GAA (0.47) GAACDK1MAPTTP53GLA
SCHEMBL939859 0.86 GAA (0.47) GAACDK1MAPTTP53GLA
Ammonia Solution, Strong SCHEMBL939852 0.85 GAA (0.46) GAACDK1MAPTTP53GLA
SCHEMBL1576882 0.84 GAA (0.48) GAACDK1MAPTTP53GLA
SCHEMBL3780423 0.83 GAA (0.42) GAACDK1MAPTKDM4ENPC1
Isopropylamine SCHEMBL939850 0.82 GAA (0.43) GAACDK1MAPTTP53GLA
SCHEMBL4582813 0.81 GAA (0.42) GAACDK1MAPTTP53GLA
SCHEMBL15244182 0.81 GAA (0.42) GAACDK1MAPTTP53GLA
SCHEMBL8626947 0.81 GAA (0.45) GAACDK1MAPTTP53GLA
Monoethanolamine SCHEMBL940690 0.81 GAA (0.42) GAACDK1MAPTTP53GLA

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

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7118269-A None JP disclosed
US-5847126-A N-azinyl-N'-(het) arylsulphonyl-ureas BAYER AKTIENGESELLSCHAFT (DE) 1998-12-08 US disclosed
US-5696257-A INTERMEDIATES FOR HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-09 US disclosed
US-5580842-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-12-03 US disclosed
US-5476936-A Herbicides BAYER AKTIENGESELLSCHAFT (DE) 1995-12-19 US disclosed
JP-H07118269-A N-AZINYL-N'-(HET)ARYLSULFONYLUREA BAYER AG 1995-05-09 JP disclosed