SCHEMBL13136685

SCHEMBL13136685

C=C/C(=C\C=C\C)N(c1ccc(C)cc1)c1ccc(C#Cc2ccc(N(c3ccc(C#Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)c3ccc(C#Cc4ccc(N(c5ccc(C)cc5)c5ccc(C)cc5)cc4)cc3)cc2)cc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ KCNH2 Q12809 1/20 0.32
▸ MMP2 P08253 1/20 0.32
▸ MMP9 P14780 1/20 0.32
▸ ADK P55263 1/20 0.30
▸ GRM5 P41594 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
SCHEMBL20814556 0.86 TRPM8 (0.38) —
SCHEMBL11932372 0.82 TRPM8 (0.40) —
SCHEMBL12134971 0.79 HDAC1 (0.33) —
SCHEMBL23018689 0.79 ALDH1A1 (0.31) —
SCHEMBL19466009 0.76 TP53 (0.33) —
SCHEMBL10066010 0.76 ALDH1A1 (0.31) —
SCHEMBL13271324 0.75 RELA (0.38) MMP2
SCHEMBL18400777 0.74 NPSR1 (0.36) —
SCHEMBL23393456 0.73 HSD17B1 (0.33) —
SCHEMBL14646321 0.73 ALDH1A1 (0.39) —

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
US-20100240781-A1 Microporous Polymers, Methods for the Preparation Thereof, and Uses Thereof ULIVE ENTERPRISES LIMITED (GB) 2010-09-23 — — US disclosed
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