SCHEMBL17499668

SCHEMBL17499668

COc1ccccc1N=CCc1ncccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
NSD2 O96028 1/20 0.41
HSP90AA1 P07900 1/20 0.41
CASP6 P55212 1/20 0.41
KDM4E B2RXH2 5/20 0.40
MAPT P10636 4/20 0.40
NOS3 P29474 2/20 0.37
NOS1 P29475 2/20 0.37
NOS2 P35228 2/20 0.37
SYK P43405 2/20 0.37
AURKB Q96GD4 1/20 0.37
INCENP Q9NQS7 1/20 0.37
ALDH1A1 P00352 5/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
PLAU P00749 1/20 0.36
CA12 O43570 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
SCHEMBL16096898 0.87 KDM4E (0.38) NPC1MEN1KMT2ANSD2HSP90AA1
SCHEMBL16096261 0.86 SYK (0.45) NPC1MEN1KMT2ANSD2HSP90AA1
SCHEMBL16097300 0.86 MAPT (0.36) NPC1MEN1KMT2ANSD2HSP90AA1
SCHEMBL17499540 0.85 MEN1 (0.32) NPC1MEN1KMT2ANSD2HSP90AA1
SCHEMBL17499686 0.84
SCHEMBL16096423 0.82 MAPT (0.40) NPC1MEN1KMT2AHSP90AA1KDM4E
SCHEMBL16095750 0.82 MAPT (0.45) NPC1MEN1KMT2AHSP90AA1KDM4E
SCHEMBL16096297 0.81 MEN1 (0.40) NPC1MEN1KMT2ANSD2HSP90AA1
SCHEMBL16097165 0.80 POLB (0.42) MEN1KMT2AKDM4EMAPTNOS3
SCHEMBL16095772 0.80 MAPT (0.38) NPC1MEN1KMT2ANSD2HSP90AA1

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 3 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