SCHEMBL16656339

SCHEMBL16656339

Cc1ccc(-c2ccc3c(c2)C(=C(C#N)C#N)C(=O)c2cc(C)ccc2-3)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.42
PKM P14618 2/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
ELANE P08246 1/20 0.40
KDM4E B2RXH2 1/20 0.38
USP8 P40818 1/20 0.38
USP7 Q93009 1/20 0.38
POLB P06746 1/20 0.37
ALKBH3 Q96Q83 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
LCK P06239 1/20 0.35
EDNRB P24530 1/20 0.35
EDNRA P25101 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA4 P22748 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
SCHEMBL16656336 0.91 MAOA (0.41) MAPTPKMALDH1A1GAAMAOA
SCHEMBL12113903 0.91 MAPT (0.49) MAPTPKMALDH1A1GAAMAOA
SCHEMBL16602029 0.82 PTGS1 (0.38) MAPTPKMALDH1A1GAAMAOA
SCHEMBL12113759 0.82 MAOA (0.48) MAPTPKMALDH1A1GAAMAOA
SCHEMBL12590260 0.80 CYP2A6 (0.40) MAPTPKMALDH1A1GAAMAOA
SCHEMBL19391241 0.80 MAPT (0.41) MAPTPKMALDH1A1GAAELANE
SCHEMBL13694208 0.80 MAPT (0.40) MAPTPKMALDH1A1GAAMAOA
SCHEMBL12553088 0.79 MAOA (0.57) MAPTMAOAMAOBELANEPOLB
SCHEMBL9964258 0.79 MAPT (0.51) MAPTPKMALDH1A1GAAMAOA
SCHEMBL16601980 0.79 ALKBH3 (0.36) MAPTALDH1A1MAOAMAOBELANE

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-9012112-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2015-04-21 US disclosed