SCHEMBL8920958

SCHEMBL8920958

N=C1NC2(CCCOO2)c2cccc([N+](=O)[O-])c21

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
S100A4 P26447 2/20 0.33
RECQL P46063 1/20 0.33
KMT2A Q03164 1/20 0.33
MCL1 Q07820 1/20 0.33
RXFP1 Q9HBX9 1/20 0.33
ACHE P22303 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
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
TDP1 Q9NUW8 1/20 0.30
TSHR P16473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL8919355 0.82 CDK2 (0.34) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL8917814 0.79 PDE7A (0.33)
SCHEMBL8919413 0.76
SCHEMBL8920405 0.73
SCHEMBL8919595 0.72
SCHEMBL8921238 0.69 PRKCA (0.38) MAPTKMT2ACYP3A4
SCHEMBL7831442 0.69 TDP1 (0.40) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL8919109 0.68 TDP1 (0.36) MAPTS100A4RECQLKMT2AMCL1
SCHEMBL8918900 0.64
SCHEMBL8921082 0.64 PDE7A (0.32)

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