SCHEMBL6814145

SCHEMBL6814145

COc1cc(CNC(=O)c2cn3cc(Cc4ccc(F)c(F)c4)c(=O)c(C)c3s2)ccn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 2/20 0.52
EPHX2 P34913 5/20 0.44
MMP13 P45452 2/20 0.41
CHRM4 P08173 3/20 0.40
MAPK1 P28482 1/20 0.39
SCD O00767 1/20 0.39
PDE10A Q9Y233 2/20 0.38
WDR5 P61964 1/20 0.36
MET P08581 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.35

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
SCHEMBL6814148 0.86 LOXL2 (0.40) TRPA1EPHX2MMP13
SCHEMBL6476858 0.84 TRPA1 (0.49) TRPA1CHRM4MAPT
SCHEMBL6819192 0.83 MMP13 (0.41) TRPA1EPHX2MMP13MAPK1SCD
SCHEMBL6814142 0.82 KDM5A (0.35) TRPA1SCDMAPT
SCHEMBL5957404 0.79 TRPA1 (0.80) TRPA1EPHX2MMP13PDE10A
SCHEMBL6484565 0.77 RXRA (0.35) TRPA1CHRM4MAPK1SCDMAPT
SCHEMBL5957431 0.72 TRPA1 (0.79) TRPA1EPHX2MMP13MAPK1
SCHEMBL5957665 0.72 TRPA1 (0.76) TRPA1EPHX2MMP13MAPK1
SCHEMBL5957671 0.72 TRPA1 (0.76) TRPA1EPHX2MMP13CHRM4
SCHEMBL5957646 0.72 TRPA1 (0.79) TRPA1EPHX2MMP13MAPK1

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
WO-2004014908-A1 HETEROBICYLCIC METALLOPROTEINASE INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-02-19 WO disclosed