SCHEMBL2937391

SCHEMBL2937391

CCS(=O)(=O)Nc1ccccc1-c1ccc2[nH]c(C3CC3c3ccc(NS(C)(=O)=O)cc3)nc2c1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.45
▸ BRD4 O60885 6/20 0.41
▸ ALOX5AP P20292 2/20 0.39
▸ FEN1 P39748 2/20 0.39
▸ TRPV1 Q8NER1 7/20 0.39
▸ CYP3A4 P08684 1/20 0.36
▸ PARP14 Q460N5 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
SCHEMBL1794967 0.94 KDM1A (0.51) KDM1ABRD4ALOX5APFEN1TRPV1
SCHEMBL12364471 0.93 KDM1A (0.43) KDM1ABRD4ALOX5APFEN1TRPV1
SCHEMBL1798976 0.88 KDM1A (0.43) KDM1ABRD4ALOX5APFEN1TRPV1
SCHEMBL12653110 0.88 KDM1A (0.37) KDM1ABRD4ALOX5APFEN1TRPV1
SCHEMBL1799974 0.87 KDM1A (0.46) KDM1ABRD4ALOX5APFEN1TRPV1
SCHEMBL12350194 0.87 TRPV1 (0.52) KDM1ABRD4ALOX5APFEN1TRPV1
SCHEMBL1798578 0.86 KDM1A (0.50) KDM1ABRD4ALOX5APFEN1TRPV1
SCHEMBL1796485 0.86 TRPV1 (0.52) KDM1ABRD4ALOX5APFEN1TRPV1
SCHEMBL1799834 0.84 BRD4 (0.42) KDM1ABRD4TRPV1CYP3A4
SCHEMBL1801347 0.83 BRD4 (0.44) KDM1ABRD4TRPV1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2021330-B1 BENZIMIDAZOLE MODULATORS OF VR1 JANSSEN PHARMACEUTICA NV (BE) 2010-09-22 — — EP claimed
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