SCHEMBL16095643

SCHEMBL16095643

COc1ccccc1C/N=C\c1cncnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.46
GRIN2B Q13224 2/20 0.46
ALDH1A1 P00352 7/20 0.42
HPGD P15428 3/20 0.42
GAA P10253 3/20 0.42
MAPT P10636 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PKM P14618 1/20 0.42
HTT P42858 1/20 0.42
CYP1A2 P05177 8/20 0.41
CYP3A4 P08684 8/20 0.41
CYP2C19 P33261 8/20 0.41
CYP2D6 P10635 7/20 0.41
TSHR P16473 6/20 0.41
CLK4 Q9HAZ1 3/20 0.41
CYP2C9 P11712 3/20 0.41
IDO1 P14902 2/20 0.39
TAAR1 Q96RJ0 1/20 0.39
ALOX15 P16050 3/20 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
SCHEMBL16095645 1.00 GRIN1 (0.46) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL16096112 0.86 GRIN1 (0.33) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL16098151 0.86 GRIN1 (0.33) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL17499264 0.86 KMT2A (0.49) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL16096110 0.86 GRIN1 (0.33) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL17499265 0.86 KMT2A (0.49) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL16097740 0.86 TAAR1 (0.44) GRIN1GRIN2BALDH1A1MEN1KMT2A
SCHEMBL16098403 0.84 GRIN1 (0.50) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL16098404 0.84 GRIN1 (0.50) GRIN1GRIN2BALDH1A1HPGDGAA
SCHEMBL16098090 0.79 GRIN1 (0.43) GRIN1GRIN2BALDH1A1HPGDGAA

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