SCHEMBL16098403

SCHEMBL16098403

COc1ccccc1C/N=C\c1ccncc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.50
GRIN2B Q13224 2/20 0.50
ROCK2 O75116 1/20 0.46
MAPT P10636 4/20 0.43
ALDH1A1 P00352 3/20 0.43
HTT P42858 2/20 0.43
MEN1 O00255 2/20 0.43
GAA P10253 2/20 0.43
KMT2A Q03164 2/20 0.43
HPGD P15428 2/20 0.43
PKM P14618 1/20 0.43
NFE2L2 Q16236 1/20 0.43
LMNA P02545 3/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
IDO1 P14902 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
TSHR P16473 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL16098404 1.00 GRIN1 (0.50) GRIN1GRIN2BROCK2MAPTALDH1A1
SCHEMBL17499632 0.85 LMNA (0.38) GRIN1GRIN2BROCK2MAPTALDH1A1
SCHEMBL17499674 0.85 LMNA (0.38) GRIN1GRIN2BROCK2MAPTALDH1A1
SCHEMBL16096003 0.85 TAAR1 (0.45) GRIN1GRIN2BROCK2MAPTALDH1A1
SCHEMBL16103277 0.85 LMNA (0.38) GRIN1GRIN2BROCK2MAPTALDH1A1
SCHEMBL17499265 0.84 KMT2A (0.49) GRIN1GRIN2BMAPTALDH1A1HTT
SCHEMBL17499264 0.84 KMT2A (0.49) GRIN1GRIN2BMAPTALDH1A1HTT
SCHEMBL16095643 0.84 GRIN1 (0.46) GRIN1GRIN2BMAPTALDH1A1HTT
SCHEMBL16095645 0.84 GRIN1 (0.46) GRIN1GRIN2BMAPTALDH1A1HTT
SCHEMBL16097957 0.80 GRIN1 (0.43) GRIN1GRIN2BMAPTALDH1A1HTT

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