SCHEMBL9713728

SCHEMBL9713728

O=C1C=C(Sc2ccccc2)C(=O)c2ccc(Cl)cc21

nearest known ligand 0.69

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S100A4 P26447 7/20 0.49
PTPN1 P18031 1/20 0.43
SOAT1 P35610 3/20 0.43
BCL2 P10415 1/20 0.41
MCL1 Q07820 1/20 0.41
MAP2K7 O14733 3/20 0.40
CDC25A P30304 3/20 0.40
CDC25B P30305 3/20 0.40
P4HB P07237 4/20 0.40
ELANE P08246 1/20 0.39
PDE7A Q13946 1/20 0.39
PDE7B Q9NP56 1/20 0.39
HSP90AA1 P07900 1/20 0.37

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
SCHEMBL17250106 0.82 SOAT1 (0.61) S100A4SOAT1MAP2K7CDC25ACDC25B
SCHEMBL17250118 0.80 G6PD (0.49) S100A4SOAT1BCL2MCL1MAP2K7
SCHEMBL10502575 0.78 S100A4 (0.59) S100A4PTPN1BCL2MCL1CDC25A
SCHEMBL9713833 0.78 SOAT1 (0.61) S100A4PTPN1SOAT1MAP2K7CDC25A
SCHEMBL9713138 0.75 MAP2K7 (0.44) S100A4PTPN1SOAT1MAP2K7CDC25A
SCHEMBL8773066 0.71 S100A4 (0.56) S100A4PTPN1HSP90AA1
SCHEMBL7919414 0.70 USP2 (0.43) S100A4PTPN1SOAT1BCL2MCL1
Diphenylsulfane SCHEMBL27631759 0.70 MAOA (0.73) S100A4
SCHEMBL9713769 0.70 GAPDH (0.69) S100A4PTPN1CDC25ACDC25BHSP90AA1
SCHEMBL15251827 0.69 PTPN1 (0.55) S100A4PTPN1CDC25B

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