SCHEMBL16098693

SCHEMBL16098693

COc1c(C)cccc1N=Cc1cccs1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.50
MAPT P10636 2/20 0.50
HTT P42858 1/20 0.50
SMN1; SMN2 Q16637 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 1/20 0.44
CYP1A2 P05177 3/20 0.42
ALDH1A1 P00352 5/20 0.42
GAA P10253 3/20 0.42
LMNA P02545 1/20 0.42
PLA2G1B P04054 1/20 0.41
ATG4B Q9Y4P1 1/20 0.41
PTPN1 P18031 1/20 0.41
HPGD P15428 1/20 0.39
ALOX5 P09917 1/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
CYP1A1 P04798 2/20 0.38
CYP1B1 Q16678 2/20 0.38
PKM P14618 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
SCHEMBL16098692 1.00 KDM4E (0.50) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL16097374 0.84 MAPT (0.47) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL16097373 0.84 MAPT (0.47) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL16096617 0.84 MAPT (0.47) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL28858443 0.83 MAPT (0.46) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL16097032 0.78 RAB9A (0.49) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL16097031 0.78 RAB9A (0.49) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL16097157 0.78 RAB9A (0.43) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL16097156 0.78 RAB9A (0.43) KDM4EMAPTHTTSMN1; SMN2RAB9A
SCHEMBL16097767 0.75 POLB (0.36) SMN1; SMN2RAB9ANPC1CYP1A2ALDH1A1

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