SCHEMBL17499425

SCHEMBL17499425

COc1ccccc1CN=Cc1cncn1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.40
GRIN1 Q05586 1/20 0.40
ALDH1A1 P00352 5/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GAA P10253 3/20 0.39
HPGD P15428 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
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
TSHR P16473 2/20 0.36
CYP2C19 P33261 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL17499422 1.00 GRIN2B (0.40) GRIN2BGRIN1ALDH1A1MEN1KMT2A
SCHEMBL17499335 0.87 SIGMAR1 (0.43) ALDH1A1MEN1KMT2AGAASIGMAR1
SCHEMBL17499451 0.87 SRC (0.30)
SCHEMBL17499460 0.87 SRC (0.30)
SCHEMBL17499502 0.77 GRIN1 (0.40) GRIN2BGRIN1ALDH1A1MEN1KMT2A
SCHEMBL17499503 0.77 GRIN1 (0.40) GRIN2BGRIN1ALDH1A1MEN1KMT2A
SCHEMBL17499768 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL17499770 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AHPGDMAPT
SCHEMBL16102419 0.75 GRIN2B (0.41) GRIN2BGRIN1ALDH1A1MEN1KMT2A
SCHEMBL17499233 0.75 GRIN2B (0.41) GRIN2BGRIN1ALDH1A1MEN1KMT2A

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