SCHEMBL8546154

SCHEMBL8546154

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

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
TSHR P16473 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 2/20 0.41
HIF1A Q16665 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
CYP1A2 P05177 1/20 0.39
TP53 P04637 1/20 0.38
GLA P06280 1/20 0.38
HTT P42858 2/20 0.37
CDK1 P06493 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
SCHEMBL8540681 0.94 GAA (0.49) GAATSHRSMN1; SMN2ALOX15MAPT
SCHEMBL8539774 0.91 ALOX15 (0.47) GAATSHRSMN1; SMN2ALOX15MAPT
SCHEMBL8540609 0.86 KMT2A (0.47) GAATSHRSMN1; SMN2ALOX15MAPT
SCHEMBL8545790 0.85 GAA (0.49) GAASMN1; SMN2ALOX15MAPTALDH1A1
SCHEMBL8546504 0.84 MAPT (0.38) GAAALOX15MAPTALDH1A1NPSR1
SCHEMBL8540689 0.84 GAA (0.47) GAATSHRSMN1; SMN2ALOX15MAPT
SCHEMBL8544311 0.83 CDK1 (0.48) GAATSHRSMN1; SMN2ALOX15MAPT
SCHEMBL8545224 0.82 GAA (0.46) GAATSHRSMN1; SMN2MAPTCYP1A2
SCHEMBL8829538 0.82 GAA (0.48) GAASMN1; SMN2ALOX15MAPTCYP1A2
SCHEMBL8829615 0.81 GAA (0.45) GAASMN1; SMN2ALOX15MAPTALDH1A1

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