SCHEMBL4894302

SCHEMBL4894302

O=[N+]([O-])c1ccc(C=NCCN=Cc2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.54
GRIN3B O60391 2/20 0.54
GRIN1 Q05586 2/20 0.54
GRIN2A Q12879 2/20 0.54
GRIN2B Q13224 2/20 0.54
GRIN2C Q14957 2/20 0.54
GRIN3A Q8TCU5 2/20 0.54
CTDSP1 Q9GZU7 1/20 0.53
AMY1A P0DUB6 1/20 0.53
APP P05067 1/20 0.52
NPC1 O15118 5/20 0.51
MAPT P10636 5/20 0.50
FBP1 P09467 2/20 0.50
MAOB P27338 1/20 0.50
RAB9A P51151 4/20 0.49
ALDH1A1 P00352 4/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
PTGS2 P35354 1/20 0.49

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
SCHEMBL4894295 1.00 GRIN2D (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11778664 0.90 HSPB1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL6033522 0.89 ALDH1A1 (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL11414542 0.88 ALDH1A1 (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18045539 0.88 CA1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16682353 0.88 CA1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL18045540 0.88 CA1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29038225 0.86 MAPT (0.54) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11781463 0.84 HSPB1 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL29133874 0.84 CA2 (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8853352-B2 Functionalized polymer and method for making BRIDGESTONE CORPORATION (JP) 2014-10-07 US disclosed
US-20080154020-A1 introducing imine compounds into carbanionic (living) polymers, that can interact with particle filler such as carbon black and silica BRIDGESTONE CORPORATION (JP) 2008-06-26 US disclosed
US-4120957-A ANTHELMINTICS ROHM AND HAAS COMPANY (US) 1978-10-17 US disclosed