SCHEMBL16656347

SCHEMBL16656347

Cc1ccc(-c2ccc3c(n2)-c2nc(C)ccc2C(=O)C3=C(C#N)C#N)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NSD2 O96028 2/20 0.36
G6PD P11413 2/20 0.36
DNMT1 P26358 2/20 0.36
SMN1; SMN2 Q16637 3/20 0.35
RAB9A P51151 3/20 0.33
NPC1 O15118 2/20 0.33
HPGDS O60760 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
AGTR1 P30556 1/20 0.33
USP8 P40818 1/20 0.33
USP7 Q93009 1/20 0.33
S100A4 P26447 1/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
MAPT P10636 4/20 0.33
ALDH1A1 P00352 2/20 0.33
TGFBR1 P36897 1/20 0.32

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
SCHEMBL16602015 0.83 MAPT (0.38) SMN1; SMN2RAB9ANPC1HPGDSPKM
SCHEMBL16656190 0.83 S100A4 (0.43) NSD2G6PDDNMT1SMN1; SMN2RAB9A
SCHEMBL16602054 0.75 TDP2 (0.40) NSD2SMN1; SMN2RAB9ANPC1HPGDS
SCHEMBL14922776 0.70 S100A4 (0.40) NSD2G6PDDNMT1SMN1; SMN2RAB9A
SCHEMBL16656339 0.69 MAPT (0.42) SMN1; SMN2RAB9ANPC1PKMUSP8
SCHEMBL16656336 0.69 MAOA (0.41) SMN1; SMN2RAB9ANPC1PKMUSP8
Water SCHEMBL10372295 0.68 NSD2 (0.58) NSD2G6PDDNMT1RAB9AUSP8
SCHEMBL12113903 0.67 MAPT (0.49) PKMUSP8USP7MEN1KMT2A
SCHEMBL12113759 0.67 MAOA (0.48) PKMUSP8USP7MEN1KMT2A
SCHEMBL3722975 0.66 S100A4 (0.59) NSD2G6PDDNMT1RAB9AUSP8

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