SCHEMBL8920524

SCHEMBL8920524

N=C1NC2(OCCO2)c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.40
S100A4 P26447 2/20 0.38
KMT2A Q03164 3/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
MCL1 Q07820 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
INSR P06213 1/20 0.37
IGF1R P08069 1/20 0.37
PIK3CA P42336 1/20 0.37
PIK3CG P48736 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
PKM P14618 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
POLB P06746 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36

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
SCHEMBL8920532 0.81 TDP1 (0.37) CDK2S100A4KMT2AMAPTRECQL
SCHEMBL8919105 0.79 S100A4 (0.37) CDK2S100A4KMT2AMAPTRECQL
SCHEMBL8919355 0.74 CDK2 (0.34) CDK2S100A4KMT2AMAPTRECQL
SCHEMBL7827740 0.72 TDP1 (0.40) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL8918252 0.70 TDP2 (0.46) S100A4KMT2AMAPTSMN1; SMN2POLB
SCHEMBL8918874 0.70 TDP1 (0.45) S100A4KMT2AMAPTSMN1; SMN2POLB
SCHEMBL7827809 0.69 ALDH1A1 (0.37) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL7816522 0.68 MEN1 (0.34) KMT2AKDM4EPOLBALDH1A1MEN1
SCHEMBL11669701 0.68 S100A4 (0.56) S100A4KMT2AMAPTRECQLMCL1
SCHEMBL7828013 0.67 S100A4 (0.55) S100A4KMT2AMAPTRECQLMCL1

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-5691272-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1997-11-25 US disclosed
US-5559247-A Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, INC. (JP) 1996-09-24 US disclosed
EP-0679640-A1 Carboxylate and heat-sensitive recording material using same MITSUI TOATSU CHEMICALS, Inc. (JP) 1995-11-02 EP disclosed