SCHEMBL16101288

SCHEMBL16101288

COc1ccccc1N=CCc1nccn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
KDM4E B2RXH2 2/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 2/20 0.38
HSD17B10 Q99714 2/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
FGB P02675 1/20 0.37
ALOX15 P16050 1/20 0.37
TNNI3 P19429 1/20 0.37
MAPK1 P28482 1/20 0.37
BRCA1 P38398 1/20 0.37
TNNT2 P45379 1/20 0.37
CASP7 P55210 1/20 0.37
TNNC1 P63316 1/20 0.37
KEAP1 Q14145 1/20 0.37
NFE2L2 Q16236 1/20 0.37
NPC1 O15118 1/20 0.36
NSD2 O96028 1/20 0.36

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
SCHEMBL17499580 0.87 MEN1 (0.38) MEN1KMT2AKDM4EMAPTGABRA1
SCHEMBL16101388 0.86 MEN1 (0.37) MEN1KMT2AGABRA1GABRG2GABRB3
SCHEMBL17499668 0.77 NPC1 (0.41) MEN1KMT2AKDM4EMAPTCASP1
SCHEMBL17499358 0.77 ALDH1A1 (0.45) MEN1KMT2AKDM4EMAPTCASP1
SCHEMBL17499356 0.77 ALDH1A1 (0.45) MEN1KMT2AKDM4EMAPTCASP1
SCHEMBL16096261 0.76 SYK (0.45) MEN1KMT2AKDM4EMAPTALDH1A1
SCHEMBL16100371 0.75 KDM4E (0.37) MEN1KMT2AKDM4EMAPTCASP1
SCHEMBL17499311 0.75 KDM4E (0.37) MEN1KMT2AKDM4EMAPTCASP1
SCHEMBL16100418 0.75 ALDH1A1 (0.38) MEN1KMT2AKDM4EMAPTCASP1
SCHEMBL16101493 0.75 ALDH1A1 (0.38) MEN1KMT2AKDM4EMAPTCASP1

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