SCHEMBL8626947

SCHEMBL8626947

COc1cc(OC)nc(NC(=O)NS(=O)(=O)c2c(C3=NOCCO3)cnn2C)n1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.45
CDK1 P06493 1/20 0.38
CYP1A2 P05177 1/20 0.36
MAPT P10636 2/20 0.33
TP53 P04637 1/20 0.33
GLA P06280 1/20 0.33
NLRP3 Q96P20 2/20 0.33
KMT2A Q03164 2/20 0.32
CASR P41180 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MEN1 O00255 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL3260607 0.86 GAA (0.43) GAACDK1CYP1A2MAPTTP53
SCHEMBL1576858 0.85 GAA (0.43) GAACDK1CYP1A2MAPTTP53
SCHEMBL13326204 0.83 GAA (0.45) GAACDK1CYP1A2MAPTTP53
SCHEMBL13326203 0.82 GAA (0.44) GAACDK1CYP1A2MAPTTP53
SCHEMBL8632475 0.81 GAA (0.49) GAACDK1CYP1A2MAPTTP53
SCHEMBL3781439 0.81 GAA (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL8845296 0.80 GAA (0.49) GAACDK1CYP1A2MAPTTP53
SCHEMBL939859 0.79 GAA (0.47) GAACDK1CYP1A2MAPTTP53
SCHEMBL10772751 0.79 GAA (0.46) GAACDK1CYP1A2MAPTTP53
Ammonia Solution, Strong SCHEMBL939852 0.78 GAA (0.46) GAACDK1CYP1A2MAPTTP53

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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