SCHEMBL16096547

SCHEMBL16096547

COc1cc(C)ccc1/N=C/c1ccccn1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A1 P22736 1/20 0.47
MAOA P21397 2/20 0.46
KDM4E B2RXH2 5/20 0.44
HTT P42858 3/20 0.44
MAPT P10636 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
ALDH1A1 P00352 1/20 0.44
HPGD P15428 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MAOB P27338 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 2/20 0.41
GAA P10253 1/20 0.41
CYP1B1 Q16678 1/20 0.40
NFE2L2 Q16236 1/20 0.40
MEN1 O00255 1/20 0.40
HSP90AA1 P07900 1/20 0.40

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
SCHEMBL16096549 1.00 NR4A1 (0.47) NR4A1MAOAKDM4EHTTMAPT
SCHEMBL17499747 0.89 NR4A1 (0.47) NR4A1MAOAKDM4EHTTMAPT
SCHEMBL17499750 0.89 NR4A1 (0.47) NR4A1MAOAKDM4EHTTMAPT
SCHEMBL16097950 0.88 NR4A1 (0.46) NR4A1MAOAKDM4EHTTMAPT
SCHEMBL16097949 0.88 NR4A1 (0.46) NR4A1MAOAKDM4EHTTMAPT
SCHEMBL16095955 0.85 NR4A1 (0.44) NR4A1MAOAKDM4EHTTMAPT
SCHEMBL28039860 0.84 NR4A1 (0.43) NR4A1MAOAKDM4EHTTMAPT
SCHEMBL16097633 0.84 CYP1B1 (0.43) KDM4EHTTMAPTL3MBTL1ALDH1A1
SCHEMBL16097632 0.84 CYP1B1 (0.43) KDM4EHTTMAPTL3MBTL1ALDH1A1
SCHEMBL16098068 0.84 NR4A1 (0.54) NR4A1MAOAKDM4EHTTMAPT

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