SCHEMBL9713475

SCHEMBL9713475

N#Cc1ccc2c(c1)C(=O)C=C(Cl)C2=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.41
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
VCAM1 P19320 1/20 0.37
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
USP8 P40818 2/20 0.36
USP7 Q93009 2/20 0.36
MALT1 Q9UDY8 1/20 0.36
TRPV4 Q9HBA0 1/20 0.34
MAOB P27338 2/20 0.34
MAOA P21397 1/20 0.34
MIF P14174 3/20 0.33
STS P08842 1/20 0.33
TP53 P04637 1/20 0.33
MDM2 Q00987 1/20 0.33
TOP2A P11388 1/20 0.33
TOP2B Q02880 1/20 0.33
USP47 Q96K76 1/20 0.33
FLT3 P36888 1/20 0.33

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
SCHEMBL25381889 0.79 CASP3 (0.41) CASP3CA1CA2MALT1MAOB
SCHEMBL28401108 0.77 CASP3 (0.52) CASP3CA1CA2USP8USP7
SCHEMBL11621386 0.77 CASP3 (0.52) CASP3CA1CA2USP8USP7
SCHEMBL8773066 0.76 S100A4 (0.56) AURKAAURKBUSP8USP7USP47
SCHEMBL9713531 0.76 IDO1 (0.56) CASP3USP8MALT1STSTP53
SCHEMBL27087501 0.74 CASP3 (0.44) CASP3CA1CA2VCAM1MALT1
SCHEMBL11622088 0.73 CASP3 (0.52) CASP3CA1CA2USP8USP7
SCHEMBL9628309 0.73 S100A4 (0.52) CA1CA2AURKAAURKB
SCHEMBL7815913 0.73 MAOA (0.53) CA1CA2AURKAAURKBUSP8
SCHEMBL30002710 0.73 MAOA (0.53) CA1CA2AURKAAURKBUSP8

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-5091558-A Topical administeration SYNTEX (U.S.A.) INC. (US) 1992-02-25 US disclosed
EP-0150831-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1988-08-10 EP disclosed
EP-0150831-A2 Naphthalene anti-psoriatic agents SYNTEX (U.S.A.) INC. (US) 1985-08-07 EP disclosed