SCHEMBL16096002

SCHEMBL16096002

COc1ccccc1C(C)N=Cc1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.43
NFE2L2 Q16236 1/20 0.43
MAPT P10636 3/20 0.41
LMNA P02545 2/20 0.41
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 2/20 0.40
ALDH1A1 P00352 1/20 0.40
GSK3B P49841 1/20 0.38
CYP19A1 P11511 4/20 0.37
RAB9A P51151 3/20 0.37
CYP1A2 P05177 2/20 0.37
CYP2D6 P10635 2/20 0.37
CYP1A1 P04798 2/20 0.37
CYP1B1 Q16678 2/20 0.37
TP53 P04637 1/20 0.37
NPC1 O15118 2/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL16095999 1.00 ROCK2 (0.43) ROCK2NFE2L2MAPTLMNAKDM4E
SCHEMBL17499249 0.87 LMNA (0.35) ROCK2NFE2L2MAPTLMNAKDM4E
SCHEMBL16102676 0.87 LMNA (0.35) ROCK2NFE2L2MAPTLMNAKDM4E
SCHEMBL17499501 0.86 LMNA (0.34) ROCK2NFE2L2MAPTLMNAKDM4E
SCHEMBL16097838 0.84 KMT2A (0.46) MAPTLMNAKDM4ESMN1; SMN2HPGD
SCHEMBL16097839 0.84 KMT2A (0.46) MAPTLMNAKDM4ESMN1; SMN2HPGD
SCHEMBL16097739 0.84 IDO1 (0.36) ROCK2NFE2L2MAPTLMNAKDM4E
SCHEMBL16097738 0.84 IDO1 (0.36) ROCK2NFE2L2MAPTLMNAKDM4E
SCHEMBL16098716 0.80 CYP19A1 (0.34) NFE2L2MAPTLMNAKDM4EHSD17B10
SCHEMBL16098718 0.80 CYP19A1 (0.34) NFE2L2MAPTLMNAKDM4EHSD17B10

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 7 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
EP-2969593-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES Bridgestone Corporation (JP) 2016-01-20 EP disclosed
CN-105209268-A Heterocyclic imine functionalized polymers BRIDGESTONE CORP 2015-12-30 CN disclosed
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed