SCHEMBL9643448

SCHEMBL9643448

CCOC1=C(OCC)C(=O)c2c(cccc2[N+](=O)[O-])C1=O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.60
PTPRC P08575 1/20 0.55
MAPT P10636 5/20 0.47
RECQL P46063 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPK1 P28482 2/20 0.47
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MCL1 Q07820 2/20 0.46
RXFP1 Q9HBX9 1/20 0.46
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
CSNK2A1 P68400 1/20 0.44
CSNK2A3 Q8NEV1 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
CA7 P43166 1/20 0.44
LCK P06239 2/20 0.43

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
SCHEMBL9642614 0.91 S100A4 (0.57) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9641888 0.90 S100A4 (0.55) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9641684 0.89 S100A4 (0.54) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9643292 0.88 S100A4 (0.53) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL11204743 0.85 S100A4 (0.57) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9643379 0.84 S100A4 (0.55) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9642880 0.84 S100A4 (0.51) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9642557 0.83 S100A4 (0.66) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL11142443 0.81 S100A4 (0.55) S100A4PTPRCMAPTRECQLKMT2A
SCHEMBL9642649 0.80 S100A4 (0.54) S100A4PTPRCMAPTRECQLKMT2A

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0215622-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS AND PROCESS FOR MAKING THEM SYNTEX (U.S.A.) INC. (US) 1992-06-17 EP disclosed
US-4946845-A STABLE ANTIINFLAMMATORY AGENTS, LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1990-08-07 US disclosed
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 EP disclosed
US-4792556-A LIPOXYGENASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1988-12-20 US disclosed
EP-0215622-A2 Naphthalene anti-psoriatic agents and process for making them SYNTEX (U.S.A.) INC. (US) 1987-03-25 EP disclosed
US-4593120-A Naphthalene-1,4-dicarboxylic acid group SYNTEX (U.S.A.) INC. (US) 1986-06-03 US disclosed
EP-0107512-B1 1,4-ACYLOXYNAPHTHALENE DERIVATIVES, TOPICAL COMPOSITIONS CONTAINING THEM, METHODS FOR THEIR PREPARATION, AND INTERMEDIATES THEREFOR SYNTEX (U.S.A.) INC. (US) 1986-02-26 EP disclosed
EP-0146145-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-06-26 EP disclosed
US-4466981-A Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1984-08-21 US disclosed
EP-0107512-A1 1,4-Acyloxynaphthalene derivatives, topical compositions containing them, methods for their preparation, and intermediates therefor SYNTEX (U.S.A.) INC. (US) 1984-05-02 EP disclosed
US-4442127-A TOPICAL ADMINISTRATION SYNTEX (U.S.A.) INC. (US) 1984-04-10 US disclosed