SCHEMBL16101075

SCHEMBL16101075

COc1ccccc1N=C(c1ccccc1)c1c(C)cnn1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.39
KMT2A Q03164 5/20 0.37
ALDH1A1 P00352 4/20 0.37
MEN1 O00255 4/20 0.37
MAPT P10636 2/20 0.37
UBE2N P61088 1/20 0.37
NOS3 P29474 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
GRIN2D O15399 1/20 0.36
GRIN3B O60391 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2A Q12879 1/20 0.36
GRIN2B Q13224 1/20 0.36
GRIN2C Q14957 1/20 0.36
GRIN3A Q8TCU5 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
NPC1 O15118 2/20 0.35
NSD2 O96028 1/20 0.35

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
SCHEMBL16101295 0.88 ESR1 (0.33) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL16101294 0.87 ESR1 (0.33) HTTALDH1A1NPC1ESR1ESR2
SCHEMBL16100650 0.83 GRIN2D (0.42) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL16101487 0.82 ALDH1A1 (0.40) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL30416262 0.78 NOS3 (0.50) HTTALDH1A1MAPTNOS3NOS1
SCHEMBL6547372 0.78 NOS3 (0.50) HTTALDH1A1MAPTNOS3NOS1
SCHEMBL16102254 0.78 NOS3 (0.36) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL16105015 0.77 ALDH1A1 (0.38) HTTKMT2AALDH1A1MEN1MAPT
SCHEMBL16102524 0.77 NOS3 (0.38) HTTALDH1A1MAPTNOS3NOS1
SCHEMBL16097001 0.74 NOS3 (0.40) HTTKMT2AALDH1A1MEN1MAPT

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