SCHEMBL17499803

SCHEMBL17499803

COc1ccccc1C/N=C\c1cn(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.42
GRIN2B Q13224 1/20 0.42
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
HPGD P15428 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 2/20 0.39
MAPT P10636 2/20 0.39
PKM P14618 1/20 0.39
HTT P42858 1/20 0.39
SIGMAR1 Q99720 1/20 0.38
KCNH2 Q12809 1/20 0.38
HRH3 Q9Y5N1 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36
IDO1 P14902 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
MAOB P27338 1/20 0.35
KDM4A O75164 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
SCHEMBL17499806 1.00 GRIN1 (0.42) GRIN1GRIN2BALDH1A1MEN1HPGD
SCHEMBL17499659 0.87 GRIN1 (0.32) GRIN1GRIN2B
SCHEMBL17499657 0.87 GRIN1 (0.32) GRIN1GRIN2B
SCHEMBL17499786 0.87 SIGMAR1 (0.43) ALDH1A1SIGMAR1KCNH2HRH3TAAR1
SCHEMBL16096589 0.78 KDM4E (0.46) GRIN1GRIN2BALDH1A1MEN1HPGD
SCHEMBL16096590 0.78 KDM4E (0.46) GRIN1GRIN2BALDH1A1MEN1HPGD
SCHEMBL17499399 0.77 GRIN1 (0.40) GRIN1GRIN2BALDH1A1MEN1HPGD
SCHEMBL17499402 0.77 GRIN1 (0.40) GRIN1GRIN2BALDH1A1MEN1HPGD
SCHEMBL17499676 0.77 ALDH1A1 (0.45) ALDH1A1MEN1HPGDKMT2AMAPT
SCHEMBL17499679 0.77 ALDH1A1 (0.45) ALDH1A1MEN1HPGDKMT2AMAPT

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 3 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