SCHEMBL8546504

SCHEMBL8546504

COc1nc(NC(=O)NS(=O)(=O)Nn2cccc2C(C)=O)nc(OC)n1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GAA P10253 1/20 0.35
ALOX15 P16050 1/20 0.34
TP53 P04637 2/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CA2 P00918 3/20 0.33
CA1 P00915 2/20 0.33
CA9 Q16790 2/20 0.33
JAK1 P23458 1/20 0.32
CA4 P22748 1/20 0.31
CA7 P43166 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
SCHEMBL8540681 0.88 GAA (0.49) MAPTHTTGAAALOX15TP53
SCHEMBL8546154 0.84 GAA (0.43) MAPTHTTNPSR1GAAALOX15
SCHEMBL8539774 0.84 ALOX15 (0.47) MAPTHTTGAAALOX15KDM4E
SCHEMBL8540609 0.80 KMT2A (0.47) MAPTGAAALOX15NPC1ALDH1A1
SCHEMBL8545790 0.79 GAA (0.49) MAPTHTTGAAALOX15TP53
SCHEMBL8540689 0.78 GAA (0.47) MAPTHTTGAAALOX15TP53
SCHEMBL8544311 0.77 CDK1 (0.48) MAPTHTTGAAALOX15TP53
SCHEMBL8545224 0.76 GAA (0.46) MAPTGAATP53
SCHEMBL8829538 0.76 GAA (0.48) MAPTHTTGAAALOX15TP53
SCHEMBL8829615 0.75 GAA (0.45) MAPTHTTGAAALOX15TP53

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