SCHEMBL16101487

SCHEMBL16101487

COc1ccccc1N=C(c1ccccc1)c1cnn(C)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.40
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
HPGD P15428 1/20 0.40
MAPK14 Q16539 1/20 0.39
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
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 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
SCHEMBL16102503 0.88 ALDH1A1 (0.36) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL16100953 0.87 KDM4E (0.35) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL17499596 0.83 GRIN2D (0.42) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL16101075 0.82 HTT (0.39) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL30416262 0.78 NOS3 (0.50) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL6547372 0.78 NOS3 (0.50) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL16100316 0.78 NOS3 (0.39) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL16105015 0.77 ALDH1A1 (0.38) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2
SCHEMBL16102524 0.77 NOS3 (0.38) ALDH1A1RAB9ASMN1; SMN2MAPK14NOS3
SCHEMBL16102108 0.75 NOS3 (0.36) ALDH1A1NPC1KDM4ERAB9ASMN1; SMN2

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