SCHEMBL14922776

SCHEMBL14922776

Cc1ccc2c(n1)C(=C(C#N)C#N)c1nc(C)ccc1-2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 1/20 0.40
NSD2 O96028 2/20 0.36
G6PD P11413 2/20 0.36
DNMT1 P26358 2/20 0.36
ALDH1A1 P00352 2/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
PKM P14618 1/20 0.34
CCR1 P32246 1/20 0.32
RAB9A P51151 1/20 0.32
CCR5 P51681 1/20 0.32
TGFBR1 P36897 1/20 0.32
EGFR P00533 1/20 0.31
KDM4E B2RXH2 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL12111040 0.78 S100A4 (0.35) S100A4NSD2G6PDDNMT1
SCHEMBL16656347 0.70 NSD2 (0.36) S100A4NSD2G6PDDNMT1ALDH1A1
Water SCHEMBL10372295 0.64 NSD2 (0.58) S100A4NSD2G6PDDNMT1GAA
SCHEMBL17851388 0.64 S100A4 (0.47) S100A4NSD2G6PDDNMT1ALDH1A1
SCHEMBL14044710 0.64 MAPT (0.43) ALDH1A1GAAMAPTPKMEGFR
SCHEMBL9964258 0.64 MAPT (0.51) ALDH1A1GAAMAPTPKMEGFR
SCHEMBL24422411 0.63 USP8 (0.36) ALDH1A1GAAMAPTRAB9AKDM4E
SCHEMBL19114663 0.63 USP8 (0.42) ALDH1A1GAAMAPTPKMRAB9A
SCHEMBL13470066 0.63 ALOX5 (0.32)
SCHEMBL22309764 0.62 TGFBR1 (0.35) S100A4ALDH1A1TGFBR1

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
US-8465889-B2 Electrophotographic photosensitive member, process cartridge, and electrophotographic apparatus CANON KABUSHIKI KAISHA (JP) 2013-06-18 US disclosed
US-8435706-B2 2013-05-07 US disclosed