SCHEMBL16101460

SCHEMBL16101460

COc1ccccc1/N=C/c1cn(C)nc1C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
KDM4E B2RXH2 5/20 0.44
HSD17B10 Q99714 2/20 0.44
CASP1 P29466 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
KMT2A Q03164 4/20 0.43
RAB9A P51151 3/20 0.43
NPC1 O15118 2/20 0.43
HPGD P15428 2/20 0.43
DUSP3 P51452 1/20 0.43
PTPN5 P54829 1/20 0.43
PTPN11 Q06124 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
GLA P06280 1/20 0.42
POLB P06746 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
NFKB1 P19838 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
CYP1A2 P05177 1/20 0.39

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
SCHEMBL16101461 1.00 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL17499736 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ARAB9ANPC1
SCHEMBL17499739 0.86 ALDH1A1 (0.42) ALDH1A1KDM4EKMT2ARAB9ANPC1
SCHEMBL17499095 0.85 ALDH1A1 (0.44) ALDH1A1KDM4EKMT2ARAB9ANPC1
SCHEMBL16096009 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10KMT2ARAB9A
SCHEMBL17499561 0.84 ALDH1A1 (0.44) ALDH1A1KDM4EHSD17B10KMT2ARAB9A
SCHEMBL16098074 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16098075 0.78 ALDH1A1 (0.47) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16101479 0.77 ALDH1A1 (0.37) ALDH1A1KDM4EHSD17B10CASP1RXFP1
SCHEMBL16101261 0.75 ALDH1A1 (0.43) ALDH1A1KDM4EHSD17B10KMT2ARAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969593-B1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORP (JP) 2020-11-04 EP disclosed
US-9850328-B2 Polymers functionalized with heterocyclic imines BRIDGESTONE CORPORATION (JP) 2017-12-26 US disclosed
US-20160039958-A1 Polymers Functionalized With Heterocyclic Imines BRIDGESTONE CORPORATION (JP) 2016-02-11 US disclosed
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed