SCHEMBL10746225

SCHEMBL10746225

COC(=S)c1cc(C(F)(F)F)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 1/20 0.44
▸ CFTR P13569 1/20 0.44
▸ MEN1 O00255 2/20 0.44
▸ KMT2A Q03164 2/20 0.44
▸ DUSP3 P51452 3/20 0.43
▸ TMPRSS4 Q9NRS4 7/20 0.43
▸ P2RX1 P51575 6/20 0.43
▸ PTPN7 P35236 2/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ CES2 O00748 1/20 0.40
▸ P2RX4 Q99571 1/20 0.39
▸ P2RX7 Q99572 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ NQO2 P16083 1/20 0.38

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
SCHEMBL28226119 0.81 CFTR (0.49) L3MBTL1CFTRMEN1KMT2ADUSP3
SCHEMBL13280707 0.79 CFTR (0.64) CFTRMEN1KMT2ATMPRSS4P2RX1
SCHEMBL10455842 0.78 MEN1 (0.44) MEN1KMT2ATMPRSS4P2RX1AKT1
SCHEMBL10512115 0.77 AR (0.42) MEN1KMT2ADUSP3TMPRSS4P2RX1
SCHEMBL10373446 0.74 CSNK2A1 (0.52) MEN1KMT2ADUSP3TMPRSS4P2RX1
SCHEMBL21367459 0.73 CFTR (0.49) CFTRMEN1KMT2ATMPRSS4P2RX1
SCHEMBL17141748 0.73 MEN1 (0.43) CFTRMEN1KMT2ATMPRSS4P2RX1
SCHEMBL11631790 0.73 CA1 (0.50) MEN1KMT2ATMPRSS4P2RX1P2RX4
SCHEMBL30062195 0.73 CES2 (0.52) L3MBTL1MEN1KMT2ATMPRSS4P2RX1
SCHEMBL320481 0.73 CES2 (0.52) L3MBTL1MEN1KMT2ATMPRSS4P2RX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4663344-A ANTIPYRETICS, ANTIARTHRITIC AGENTS MERCK & CO., INC. (US) 1987-05-05 — — US disclosed
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