SCHEMBL8919355

SCHEMBL8919355

N=C1NC2(CCCOO2)c2c1cccc2[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 1/20 0.34
MAPT P10636 3/20 0.33
KMT2A Q03164 3/20 0.33
S100A4 P26447 2/20 0.33
RECQL P46063 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.32
MITF O75030 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
PTPRC P08575 1/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CG P48736 1/20 0.31
TDP1 Q9NUW8 3/20 0.31

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
SCHEMBL8920958 0.82 MAPT (0.33) MAPTKMT2AS100A4RECQLMCL1
SCHEMBL8921082 0.78 PDE7A (0.32)
SCHEMBL8918900 0.78
SCHEMBL8920443 0.75
SCHEMBL8920524 0.74 CDK2 (0.40) CDK2MAPTKMT2AS100A4RECQL
SCHEMBL8919595 0.73
SCHEMBL8919759 0.72 ALDH1A1 (0.31) MAPTKMT2ARECQLRXFP1ALDH1A1
SCHEMBL7827740 0.67 TDP1 (0.40) MAPTKMT2AS100A4RECQLMCL1
SCHEMBL8920532 0.67 TDP1 (0.37) CDK2MAPTKMT2AS100A4RECQL
SCHEMBL8919771 0.64 PDE7A (0.33)

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