SCHEMBL17499265

SCHEMBL17499265

COc1ccccc1CN=Cc1cccnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.49
ALDH1A1 P00352 5/20 0.49
MEN1 O00255 5/20 0.49
GAA P10253 4/20 0.49
GRIN1 Q05586 1/20 0.47
GRIN2B Q13224 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
NPC1 O15118 1/20 0.43
TAAR1 Q96RJ0 1/20 0.43
CYP19A1 P11511 1/20 0.42
CYP11B1 P15538 1/20 0.42
CYP11B2 P19099 1/20 0.42
G6PC1 P35575 1/20 0.42
CYP1A2 P05177 4/20 0.41
CYP3A4 P08684 4/20 0.41
CYP2C19 P33261 4/20 0.41
CYP2D6 P10635 3/20 0.41

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
SCHEMBL17499264 1.00 KMT2A (0.49) KMT2AALDH1A1MEN1GAAGRIN1
SCHEMBL17499341 0.86 ALDH1A1 (0.44) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL17499167 0.86 ALDH1A1 (0.44) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL17499164 0.86 ALDH1A1 (0.44) KMT2AALDH1A1MEN1GAASMN1; SMN2
SCHEMBL16097841 0.86 ALDH1A1 (0.47) KMT2AALDH1A1MEN1GAAGRIN1
SCHEMBL16095645 0.86 GRIN1 (0.46) KMT2AALDH1A1MEN1GAAGRIN1
SCHEMBL16095643 0.86 GRIN1 (0.46) KMT2AALDH1A1MEN1GAAGRIN1
SCHEMBL16098404 0.84 GRIN1 (0.50) KMT2AALDH1A1MEN1GAAGRIN1
SCHEMBL16098403 0.84 GRIN1 (0.50) KMT2AALDH1A1MEN1GAAGRIN1
SCHEMBL16097016 0.80 POLB (0.46) KMT2AALDH1A1MEN1GAAGRIN1

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
CN-105209268-B Heterocyclic imine functionalized polymers 株式会社普利司通 2018-05-04 CN 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
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed