SCHEMBL3402353

SCHEMBL3402353

COC(=O)c1ccc(CC(C)CC#N)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 1/20 0.50
CYP4A11 Q02928 2/20 0.46
CYP4F2 P78329 1/20 0.45
MAPT P10636 2/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
TDP1 Q9NUW8 1/20 0.43
CA12 O43570 1/20 0.43
CA7 P43166 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 3/20 0.41
TSHR P16473 2/20 0.41
KDM4E B2RXH2 1/20 0.41
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GAA P10253 1/20 0.41
MAPK1 P28482 1/20 0.41

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
SCHEMBL3400977 0.87 CYP4F2 (0.55) CYP4A11CYP4F2MAPTCA1CA2
SCHEMBL3396943 0.85 CA12 (0.49) MAPTCA1CA2TDP1CA12
SCHEMBL13543623 0.81 LOXL2 (0.56) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL2653884 0.81 LOXL2 (0.56) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL28295886 0.80 LOXL2 (0.54) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL765010 0.79 LOXL2 (0.61) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL24843670 0.78 LOXL2 (0.53) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL5177723 0.77 LOXL2 (0.59) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL378575 0.77 LOXL2 (0.59) LOXL2CYP4A11CYP4F2MAPTCA1
SCHEMBL14379749 0.77 LOXL2 (0.51) LOXL2CYP4A11CYP4F2MAPTCA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2170050-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF Milestone Pharmaceuticals Inc. (CA) 2010-04-07 EP disclosed
WO-2008156820-A1 SHORT ACTING PHENYLALKYLAMINE CALCIUM CHANNEL BLOCKERS AND USES THEREOF MILESTONE PHARMACEUTICALS INC. (CA) 2008-12-24 WO disclosed