SCHEMBL8544311

SCHEMBL8544311

COc1cc(OC)nc(NC(=O)NS(=O)(=O)Nn2cccc2C(=O)N(C)C)n1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.48
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.40
TP53 P04637 1/20 0.40
GLA P06280 1/20 0.40
CYP1A2 P05177 1/20 0.40
KMT2A Q03164 1/20 0.36
ALOX15 P16050 1/20 0.34
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL8540681 0.89 GAA (0.49) CDK1GAAMAPTTP53GLA
SCHEMBL8545790 0.89 GAA (0.49) CDK1GAAMAPTTP53GLA
SCHEMBL8540689 0.87 GAA (0.47) CDK1GAAMAPTTP53GLA
SCHEMBL8829538 0.85 GAA (0.48) CDK1GAAMAPTTP53GLA
SCHEMBL8545224 0.85 GAA (0.46) CDK1GAAMAPTTP53GLA
SCHEMBL8829615 0.84 GAA (0.45) CDK1GAAMAPTTP53GLA
SCHEMBL8545621 0.83 GAA (0.50) CDK1GAAMAPTTP53GLA
SCHEMBL8546154 0.83 GAA (0.43) CDK1GAAMAPTTP53GLA
SCHEMBL8546265 0.82 GAA (0.44) CDK1GAAMAPTTP53GLA
SCHEMBL8542533 0.78 GAA (0.53) CDK1GAAMAPTTP53GLA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0648764-B1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA CHEMICAL IND CO LTD (JP) 1998-12-16 EP disclosed
US-5612287-A N-(substituted amino) pyrrole derivatives preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-03-18 US disclosed
EP-0648764-A1 N-(substituted amino)pyrrole derivatives, preparation process thereof, and herbicidal compositions KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1995-04-19 EP disclosed