SCHEMBL8540681

SCHEMBL8540681

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

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.49
CYP1A2 P05177 1/20 0.45
MAPT P10636 2/20 0.42
TP53 P04637 1/20 0.42
GLA P06280 1/20 0.42
CDK1 P06493 1/20 0.40
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
ALOX15 P16050 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
HTT P42858 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
SCHEMBL8546154 0.94 GAA (0.43) GAACYP1A2MAPTTP53GLA
SCHEMBL8545790 0.91 GAA (0.49) GAACYP1A2MAPTTP53GLA
SCHEMBL8540689 0.89 GAA (0.47) GAACYP1A2MAPTTP53GLA
SCHEMBL8544311 0.89 CDK1 (0.48) GAACYP1A2MAPTTP53GLA
SCHEMBL8546504 0.88 MAPT (0.38) GAAMAPTTP53ALDH1A1ALOX15
SCHEMBL8829538 0.88 GAA (0.48) GAACYP1A2MAPTTP53GLA
SCHEMBL8545224 0.88 GAA (0.46) GAACYP1A2MAPTTP53GLA
SCHEMBL8829615 0.87 GAA (0.45) GAACYP1A2MAPTTP53GLA
SCHEMBL8545621 0.86 GAA (0.50) GAACYP1A2MAPTTP53GLA
SCHEMBL8539774 0.85 ALOX15 (0.47) GAAMAPTKMT2AALDH1A1TSHR

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
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
US-5604178-A N-(substituted amino)pyrrole derivatives, and herbicidal compositions KUREHA KAGAKU KOGYO K.K. (JP) 1997-02-18 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