SCHEMBL4900549

SCHEMBL4900549

O=[N+]([O-])c1cccc(C=NCCN=Cc2cccc([N+](=O)[O-])c2)c1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.66
MEN1 O00255 1/20 0.66
CA1 P00915 1/20 0.65
CA2 P00918 1/20 0.65
AMY1A P0DUB6 1/20 0.57
HTT P42858 1/20 0.57
NFE2L2 Q16236 2/20 0.57
FBP1 P09467 2/20 0.56
VCP P55072 1/20 0.56
CYP19A1 P11511 1/20 0.56
ALDH1A1 P00352 3/20 0.55
PTGS2 P35354 1/20 0.54
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
NPC1 O15118 4/20 0.52
MAPT P10636 3/20 0.52
RAB9A P51151 3/20 0.52
CASP3 P42574 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
SENP7 Q9BQF6 1/20 0.52

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
SCHEMBL4900542 1.00 KMT2A (0.66) KMT2AMEN1CA1CA2AMY1A
SCHEMBL9698864 0.92 CA1 (0.61) KMT2AMEN1CA1CA2AMY1A
SCHEMBL9698869 0.92 CA1 (0.61) KMT2AMEN1CA1CA2AMY1A
SCHEMBL9181666 0.88 ALDH1A1 (0.58) KMT2AMEN1CA1CA2AMY1A
SCHEMBL9181669 0.88 ALDH1A1 (0.58) KMT2AMEN1CA1CA2AMY1A
SCHEMBL10663163 0.88 ALDH1A1 (0.58) KMT2AMEN1CA1CA2AMY1A
SCHEMBL9408027 0.87 CA1 (0.56) KMT2AMEN1CA1CA2AMY1A
SCHEMBL9408024 0.87 CA1 (0.56) KMT2AMEN1CA1CA2AMY1A
SCHEMBL2909279 0.84 KMT2A (0.56) KMT2AMEN1CA1CA2AMY1A
SCHEMBL2909281 0.84 KMT2A (0.56) KMT2AMEN1CA1CA2AMY1A

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