SCHEMBL17499402

SCHEMBL17499402

COc1ccccc1CN=Cc1ccn(C)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 2/20 0.40
GRIN2B Q13224 2/20 0.40
ALDH1A1 P00352 4/20 0.40
GAA P10253 2/20 0.40
MAPT P10636 2/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
KMT2A Q03164 2/20 0.40
PKM P14618 1/20 0.40
HTT P42858 1/20 0.40
SIGMAR1 Q99720 1/20 0.39
KCNH2 Q12809 2/20 0.38
HRH3 Q9Y5N1 1/20 0.38
IDO1 P14902 2/20 0.36
TAAR1 Q96RJ0 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
ADCY10 Q96PN6 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
SCHEMBL17499399 1.00 GRIN1 (0.40) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499463 0.87 KMT2A (0.30) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL17499466 0.87 KMT2A (0.30) ALDH1A1GAAMAPTMEN1HPGD
SCHEMBL28040294 0.87 SIGMAR1 (0.43) ALDH1A1SIGMAR1KCNH2HRH3TAAR1
SCHEMBL17499806 0.77 GRIN1 (0.42) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499803 0.77 GRIN1 (0.42) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499208 0.76 ALDH1A1 (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL16096589 0.76 KDM4E (0.46) GRIN1GRIN2BALDH1A1GAAMAPT
SCHEMBL17499210 0.76 ALDH1A1 (0.46) ALDH1A1MAPTMEN1HPGDKMT2A
SCHEMBL16096590 0.76 KDM4E (0.46) GRIN1GRIN2BALDH1A1GAAMAPT

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