SCHEMBL14980643

SCHEMBL14980643

CCCc1sc(NC)c(C(=O)NC)c1CC(N)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ PLK1 P53350 1/20 0.33
▸ MEN1 O00255 2/20 0.30
▸ ALDH1A1 P00352 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ HSD17B10 Q99714 1/20 0.30
▸ USP2 O75604 1/20 0.30
▸ POLB P06746 1/20 0.30

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
SCHEMBL14980671 0.89 USP2 (0.37) MEN1ALDH1A1KMT2AHSD17B10USP2
SCHEMBL14980658 0.80 CYP1A2 (0.38) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL14980668 0.75 USP2 (0.38) PLK1USP2
SCHEMBL14980641 0.65 MEN1 (0.31) MEN1ALDH1A1KMT2A
SCHEMBL14981115 0.65 NTRK1 (0.33) —
SCHEMBL26296832 0.63 CYP1A2 (0.43) MEN1ALDH1A1KMT2AHSD17B10POLB
SCHEMBL16366864 0.63 CYP1A2 (0.31) MEN1ALDH1A1KMT2AHSD17B10
SCHEMBL14981227 0.62 POLB (0.32) POLB
SCHEMBL14980659 0.62 ACHE (0.32) MEN1ALDH1A1
SCHEMBL13174918 0.57 ALDH1A1 (0.38) PLK1MEN1ALDH1A1KMT2AHSD17B10

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-2411396-B1 THIENOPYRIMIDINEDIONE DERIVATIVES AS TRPA1 MODULATORS GLENMARK PHARMACEUTICALS SA (CH) 2013-05-29 — — EP disclosed
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