SCHEMBL4896484

SCHEMBL4896484

O=[N+]([O-])c1ccccc1/C=N\CC/N=C\c1ccccc1[N+](=O)[O-]

nearest known ligand 0.84

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.84
MEN1 O00255 4/20 0.56
KMT2A Q03164 4/20 0.56
RAB9A P51151 4/20 0.56
NPC1 O15118 2/20 0.56
ALDH1A1 P00352 4/20 0.53
GAA P10253 2/20 0.53
LMNA P02545 3/20 0.51
KDM4E B2RXH2 3/20 0.51
L3MBTL1 Q9Y468 3/20 0.51
MAPT P10636 3/20 0.51
THRB P10828 1/20 0.51
PTBP1 P26599 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.50
MAPK1 P28482 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
CA2 P00918 1/20 0.48

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
SCHEMBL4896487 1.00 CA12 (0.84) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL14163515 1.00 CA12 (0.84) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL379472 0.90 CA12 (0.74) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL379471 0.90 CA12 (0.74) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL11966962 0.90 CA12 (0.74) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL22013355 0.87 CA12 (0.80) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL9112821 0.83 CA12 (0.65) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL9112827 0.83 CA12 (0.65) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL700769 0.79 CA12 (0.60) CA12MEN1KMT2ARAB9ANPC1
SCHEMBL29035946 0.79 CA12 (0.60) CA12MEN1KMT2ARAB9ANPC1

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 2 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