SCHEMBL16101313

SCHEMBL16101313

COc1ccccc1N=C(C)c1cn(C)nc1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
GRIN2D O15399 1/20 0.42
GRIN3B O60391 1/20 0.42
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
GRIN2C Q14957 1/20 0.42
GRIN3A Q8TCU5 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
ALDH1A1 P00352 5/20 0.41
MAPT P10636 3/20 0.41
LMNA P02545 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ATM Q13315 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
L3MBTL1 Q9Y468 2/20 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
SCHEMBL17499214 0.87 ATM (0.39) ALDH1A1MAPTLMNAHSD17B10ATM
SCHEMBL17499296 0.86 ATM (0.38) ALDH1A1MAPTLMNAHSD17B10ATM
SCHEMBL17499769 0.84 SMN1; SMN2 (0.44) ALDH1A1MAPTLMNAATMSMN1; SMN2
SCHEMBL16100316 0.83 NOS3 (0.39) NOS3NOS1NOS2GRIN2DGRIN3B
SCHEMBL17499596 0.78 GRIN2D (0.42) NOS3NOS1NOS2GRIN2DGRIN3B
SCHEMBL17499226 0.75 SMN1; SMN2 (0.37) ALDH1A1MAPTLMNAATMSMN1; SMN2
SCHEMBL16101645 0.75 ALDH1A1 (0.43) NOS3NOS1NOS2GRIN2DGRIN3B
SCHEMBL16101774 0.74 ALDH1A1 (0.45) NOS3NOS1NOS2GRIN2DGRIN3B
SCHEMBL17499152 0.74 SMN1; SMN2 (0.35) ALDH1A1MAPTATMSMN1; SMN2RAB9A
SCHEMBL17499157 0.73 ALDH1A1 (0.41) NOS3NOS1NOS2GRIN2DGRIN3B

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