SCHEMBL9713740

SCHEMBL9713740

O=C1C=C(c2ccccc2)C(=S)c2ccc(Cl)cc21

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 3/20 0.45
PTPN1 P18031 4/20 0.44
S100A4 P26447 2/20 0.42
PTPRC P08575 2/20 0.41
PTPRF P10586 1/20 0.41
CDC25B P30305 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
CYP1A2 P05177 1/20 0.39
CYP1B1 Q16678 1/20 0.39
HSP90AA1 P07900 1/20 0.38
DPP4 P27487 1/20 0.38
MEN1 O00255 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
PTPN11 Q06124 1/20 0.37
PTGDR2 Q9Y5Y4 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
SCHEMBL15251827 0.87 PTPN1 (0.55) BACE1PTPN1S100A4PTPRCPTPRF
SCHEMBL9713840 0.73 S100A4 (0.44) PTPN1S100A4CDC25BKMT2ACYP1A2
SCHEMBL10502584 0.73 S100A4 (0.51) S100A4KMT2AKDM4EHSP90AA1MEN1
SCHEMBL9713148 0.70 S100A4 (0.40) PTPN1S100A4KDM4EHSP90AA1RXFP1
SCHEMBL15821387 0.69 S100A4 (0.50) PTPN1S100A4PTPRCHSP90AA1PTPN11
SCHEMBL5050876 0.67 CYP1A2 (0.52) BACE1S100A4KMT2AKDM4ECYP1A2
SCHEMBL21887173 0.67 BACE1 (0.70) BACE1PTPN1PTPRCPTPRFCDC25B
SCHEMBL15821909 0.67 PTPN1 (0.42) PTPN1S100A4PTPRCPTPRFCDC25B
SCHEMBL23271777 0.66 S100A4 (0.52) PTPN1S100A4KMT2AKDM4EHSP90AA1
SCHEMBL21699234 0.66 PTPN1 (0.44) PTPN1S100A4PTPRCHSP90AA1PTPN11

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