SCHEMBL10503148

SCHEMBL10503148

CC1=C(C)C(=S)c2ccccc2C1=O

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDC25B P30305 9/20 0.54
CDC25A P30304 7/20 0.54
AURKA O14965 1/20 0.54
AURKB Q96GD4 1/20 0.54
S100A4 P26447 7/20 0.50
MEN1 O00255 4/20 0.48
KMT2A Q03164 4/20 0.48
MAP2K7 O14733 4/20 0.47
MAOA P21397 4/20 0.46
MAPT P10636 4/20 0.46
LMNA P02545 3/20 0.46
BLM P54132 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
PLIN1 O60240 2/20 0.46
MAPK1 P28482 2/20 0.46
PLIN5 Q00G26 2/20 0.46
ABHD5 Q8WTS1 2/20 0.46
KDM4E B2RXH2 2/20 0.46
POLB P06746 2/20 0.46
RAB9A P51151 2/20 0.46

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
SCHEMBL29941466 0.85 CDC25B (0.68) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL571026 0.85 CDC25B (0.68) CDC25BCDC25AAURKAAURKBS100A4
Water SCHEMBL8664586 0.83 CDC25B (0.65) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL11573761 0.81 S100A4 (0.50) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL15491792 0.80 CDC25B (0.62) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL1197982 0.78 MEN1 (0.71) CDC25BCDC25AS100A4MEN1KMT2A
SCHEMBL31129793 0.77 CDC25B (0.40) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL17969766 0.76 CDC25B (0.58) CDC25BCDC25AAURKAAURKBS100A4
SCHEMBL10502720 0.74 S100A4 (0.55) S100A4MAOAAPAF1CES1MAOB
SCHEMBL8586117 0.73 S100A4 (0.60) CDC25BCDC25AAURKAAURKBS100A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0146145-B1 NAPHTHALENE ANTI-PSORIATIC AGENTS SYNTEX (U.S.A.) INC. (US) 1989-08-30 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