SCHEMBL16096554

SCHEMBL16096554

COc1cc(C)ccc1N=CCc1cccs1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ACHE P22303 1/20 0.37
MAPT P10636 3/20 0.36
CYP1A2 P05177 3/20 0.36
CYP3A4 P08684 3/20 0.36
CYP2D6 P10635 3/20 0.36
CYP2C19 P33261 3/20 0.36
KDM4E B2RXH2 2/20 0.36
HTT P42858 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.36
ALDH1A1 P00352 2/20 0.36
TSHR P16473 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALOX15 P16050 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36

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
SCHEMBL16097685 0.90 TP53 (0.43) TP53L3MBTL1TDP1ACHEMAPT
SCHEMBL16097015 0.88 KDM4E (0.36) TP53L3MBTL1TDP1MAPTCYP1A2
SCHEMBL16104953 0.86 L3MBTL1 (0.34) TP53L3MBTL1TDP1MAPTCYP1A2
SCHEMBL28040335 0.85 RAB9A (0.34) TP53L3MBTL1TDP1MAPTCYP1A2
SCHEMBL16098234 0.83 CYP1A2 (0.46) MAPTCYP1A2CYP3A4CYP2D6CYP2C19
SCHEMBL16096910 0.82 KDM4E (0.38) TP53L3MBTL1TDP1MAPTCYP1A2
SCHEMBL16097254 0.79 MEN1 (0.38) L3MBTL1ACHEMAPTCYP3A4CYP2C19
SCHEMBL16095537 0.79 KDM4E (0.37) TP53L3MBTL1TDP1MAPTCYP1A2
SCHEMBL28040598 0.78 KDM4E (0.36) TP53L3MBTL1TDP1MAPTCYP1A2
SCHEMBL16097418 0.77 MAPT (0.62) TDP1ACHEMAPTCYP1A2KDM4E

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