SCHEMBL10498942

SCHEMBL10498942

CCCCCc1ccc(C(=S)C=Cc2ccc(F)c(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KCNK2 O95069 1/20 0.43
▸ ATG4B Q9Y4P1 11/20 0.42
▸ PLA2G1B P04054 9/20 0.42
▸ THRA P10827 2/20 0.42
▸ THRB P10828 2/20 0.42
▸ RARB P10826 3/20 0.42
▸ TRPM2 O94759 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ RARA P10276 1/20 0.41
▸ RARG P13631 1/20 0.41
▸ CYP1A2 P05177 1/20 0.41
▸ TDP1 Q9NUW8 1/20 0.41
▸ RECQL P46063 1/20 0.41

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
SCHEMBL10497709 0.85 THRA (0.52) ATG4BPLA2G1BTHRATHRBTRPM2
SCHEMBL10497532 0.85 THRA (0.52) ATG4BPLA2G1BTHRATHRBTRPM2
SCHEMBL10497704 0.85 ATG4B (0.44) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10497344 0.84 THRA (0.51) ATG4BPLA2G1BTHRATHRBTRPM2
SCHEMBL10497586 0.84 MAOA (0.43) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL9341461 0.83 PLA2G1B (0.47) ATG4BPLA2G1BTHRATHRBTRPM2
SCHEMBL10497272 0.82 THRA (0.45) ATG4BPLA2G1BTHRATHRBRARB
SCHEMBL9342200 0.82 KCNK2 (0.52) KCNK2ATG4BPLA2G1BTHRATHRB
SCHEMBL9338240 0.82 THRA (0.49) ATG4BPLA2G1BTHRATHRBTRPM2
SCHEMBL10497882 0.81 THRA (0.44) ATG4BPLA2G1BTHRATHRBTRPM2

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
EP-0328669-A1 CHALCONE DERIVATIVE COMPOUNDS NIPPON OIL AND FATS COMPANY, LIMITED (JP) 1989-08-23 — — EP disclosed
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