SCHEMBL17499764

SCHEMBL17499764

COc1ccccc1C/N=C\c1nccn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 2/20 0.40
GRIN1 Q05586 1/20 0.40
ALDH1A1 P00352 3/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
PKM P14618 1/20 0.39
HPGD P15428 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
IDO1 P14902 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL17499767 1.00 GRIN2B (0.40) GRIN2BGRIN1ALDH1A1MEN1KMT2A
SCHEMBL17499396 0.87 GRIN1 (0.30) GRIN2BGRIN1ALDH1A1
SCHEMBL17499113 0.87 SIGMAR1 (0.43) ALDH1A1SIGMAR1KCNH2HRH3TAAR1
SCHEMBL17499400 0.87 GRIN1 (0.30) GRIN2BGRIN1ALDH1A1
SCHEMBL17499823 0.77 GRIN1 (0.45) GRIN2BGRIN1ALDH1A1MEN1KMT2A
SCHEMBL17499825 0.77 GRIN1 (0.45) GRIN2BGRIN1ALDH1A1MEN1KMT2A
SCHEMBL17499358 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL17499356 0.77 ALDH1A1 (0.45) ALDH1A1MEN1KMT2AGAAMAPT
SCHEMBL17499233 0.75 GRIN2B (0.41) GRIN2BGRIN1ALDH1A1MEN1KMT2A
SCHEMBL16103100 0.75 KDM4E (0.52) ALDH1A1MEN1KMT2AGAAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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