SCHEMBL16097672

SCHEMBL16097672

COc1ccccc1C(C)/N=C/c1cnc(C)cn1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 4/20 0.36
LPAR1 Q92633 1/20 0.36
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
CYP1A2 P05177 4/20 0.33
HSD17B10 Q99714 4/20 0.33
MEN1 O00255 3/20 0.33
ALDH1A1 P00352 3/20 0.33
ALOX15 P16050 3/20 0.33
KMT2A Q03164 3/20 0.33
CYP2D6 P10635 3/20 0.33
TSHR P16473 3/20 0.33
CYP2C19 P33261 3/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GAA P10253 2/20 0.33
MAPT P10636 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL16097674 1.00 CYP3A4 (0.36) CYP3A4LPAR1SLC6A2SLC6A4SLC6A3
SCHEMBL17499581 0.88 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL17499582 0.88 SLC6A2 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL17499324 0.87 SLC6A2 (0.31) SLC6A2SLC6A4SLC6A3
SCHEMBL16104943 0.84 KDM4E (0.38) CYP3A4LPAR1CYP1A2MEN1ALDH1A1
SCHEMBL16104942 0.84 KDM4E (0.38) CYP3A4LPAR1CYP1A2MEN1ALDH1A1
SCHEMBL16095531 0.81 L3MBTL1 (0.39) CYP1A2MEN1ALDH1A1KMT2ANPC1
SCHEMBL16095529 0.81 L3MBTL1 (0.39) CYP1A2MEN1ALDH1A1KMT2ANPC1
SCHEMBL16097752 0.79 KDM4E (0.46) MEN1ALDH1A1KMT2ANPC1RAB9A
SCHEMBL16097753 0.79 KDM4E (0.46) MEN1ALDH1A1KMT2ANPC1RAB9A

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
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
WO-2014149931-A1 POLYMERS FUNCTIONALIZED WITH HETEROCYCLIC IMINES BRIDGESTONE CORPORATION (JP) 2014-09-25 WO disclosed