SCHEMBL16102733

SCHEMBL16102733

COc1ccccc1CCN=Cc1cccc2c1ncn2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.42
BCHE P06276 2/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
ALDH1A1 P00352 4/20 0.38
KDM4E B2RXH2 3/20 0.38
HPGD P15428 2/20 0.38
HSD17B10 Q99714 2/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 2/20 0.38
KCNH2 Q12809 1/20 0.38
HTT P42858 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
THRB P10828 1/20 0.37
PKM P14618 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL16103543 0.89 BCHE (0.34) CA12BCHEMAPTSMN1; SMN2NPC1
SCHEMBL16103202 0.89 MAPT (0.41) CA12MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16103204 0.89 MAPT (0.41) CA12MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL16102217 0.79 SHBG (0.43) MAPTSMN1; SMN2NPC1RAB9ASIGMAR1
SCHEMBL16101590 0.78 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16101588 0.78 MAPT (0.43) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16103122 0.78 MAPT (0.33) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL16103125 0.78 MAPT (0.33) MAPTSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL17499453 0.77 SIGMAR1 (0.42) MAPTSIGMAR1ALDH1A1KDM4EHPGD
SCHEMBL16102731 0.75 MAPT (0.41) MAPTSMN1; SMN2NPC1RAB9AALDH1A1

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 7 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
CN-105209268-B Heterocyclic imine functionalized polymers 株式会社普利司通 2018-05-04 CN 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
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed