SCHEMBL9713840

SCHEMBL9713840

CC1=CC(=O)c2cc(Cl)ccc2C1=S

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 2/20 0.44
HSP90AA1 P07900 1/20 0.42
PPOX P50336 1/20 0.40
PTPN11 Q06124 1/20 0.38
ALDH1A1 P00352 2/20 0.36
MEN1 O00255 1/20 0.36
PLIN1 O60240 1/20 0.36
NR1I2 O75469 1/20 0.36
USP2 O75604 1/20 0.36
GSR P00390 1/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
ADORA3 P0DMS8 1/20 0.36
GAA P10253 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
HSPD1 P10809 1/20 0.36
CYP2C9 P11712 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
SCHEMBL9627970 0.81 ALDH1A1 (0.57) S100A4HSP90AA1PPOXPTPN11ALDH1A1
SCHEMBL9713148 0.78 S100A4 (0.40) S100A4HSP90AA1PPOXPTPN11ALDH1A1
SCHEMBL357221 0.75 ALDH1A1 (0.63) S100A4ALDH1A1MEN1PLIN1NR1I2
SCHEMBL9713740 0.73 BACE1 (0.45) S100A4HSP90AA1PTPN11MEN1CYP1A2
SCHEMBL10502720 0.73 S100A4 (0.55) S100A4HSP90AA1PPOXALDH1A1IDO1
SCHEMBL9713423 0.71 PTPN1 (0.46) S100A4HSP90AA1MEN1GAAHPGD
SCHEMBL8773066 0.69 S100A4 (0.56) S100A4HSP90AA1PPOXPTPN11PTPN1
SCHEMBL15821387 0.69 S100A4 (0.50) S100A4HSP90AA1PPOXPTPN11PTPN1
SCHEMBL8773134 0.68 S100A4 (0.58) S100A4HSP90AA1PPOXPTPN11IDO1
SCHEMBL23271777 0.67 S100A4 (0.52) S100A4HSP90AA1PPOXPTPN11ALDH1A1

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