SCHEMBL16098089

SCHEMBL16098089

COc1ccccc1C/N=C\c1ncncn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.43
GRIN2B Q13224 2/20 0.43
ALDH1A1 P00352 7/20 0.42
GAA P10253 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 1/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
KMT2A Q03164 1/20 0.42
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 8/20 0.41
CYP2D6 P10635 8/20 0.41
CYP2C19 P33261 8/20 0.41
TSHR P16473 6/20 0.41
CLK4 Q9HAZ1 4/20 0.41
CYP2C9 P11712 4/20 0.41
ABCB1 P08183 1/20 0.39
IDO1 P14902 2/20 0.39
TAAR1 Q96RJ0 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
SCHEMBL16098090 1.00 GRIN1 (0.43) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499823 0.88 GRIN1 (0.45) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499825 0.88 GRIN1 (0.45) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499117 0.86 GRIN1 (0.32) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL16097182 0.86 TAAR1 (0.44) ALDH1A1CYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL17499497 0.86 GRIN1 (0.32) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499119 0.86 GRIN1 (0.32) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499661 0.84 GRIN1 (0.42) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL16095748 0.84 GRIN1 (0.42) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL16097956 0.82 GRIN1 (0.43) GRIN1GRIN2BALDH1A1GAAMAPT

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