SCHEMBL17499503

SCHEMBL17499503

COc1ccccc1CN=Cc1ccnn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.40
GRIN2B Q13224 1/20 0.40
ALDH1A1 P00352 4/20 0.40
HPGD P15428 2/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 1/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KCNH2 Q12809 2/20 0.38
MET P08581 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
IDO1 P14902 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
KCNN3 Q9UGI6 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
LMNA P02545 1/20 0.35

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
SCHEMBL17499502 1.00 GRIN1 (0.40) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL17499721 0.88 MET (0.37) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL17499726 0.88 MET (0.37) ALDH1A1HPGDGAAMAPTMEN1
SCHEMBL28039868 0.87 SIGMAR1 (0.43) ALDH1A1SIGMAR1KCNH2METHRH3
SCHEMBL17499425 0.77 GRIN2B (0.40) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL17499422 0.77 GRIN2B (0.40) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL16096026 0.76 CYP1A2 (0.52) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL17499639 0.76 CYP1A2 (0.52) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL17499727 0.76 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A
SCHEMBL17499723 0.76 ALDH1A1 (0.46) ALDH1A1HPGDMAPTMEN1KMT2A

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 4 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
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed