SCHEMBL10497586

SCHEMBL10497586

CCCCCc1ccc(C(=S)C=Cc2cccc(F)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.43
▸ MAOB P27338 1/20 0.43
▸ ATG4B Q9Y4P1 12/20 0.41
▸ PLA2G1B P04054 10/20 0.41
▸ THRA P10827 2/20 0.41
▸ THRB P10828 2/20 0.41
▸ NFE2L2 Q16236 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ RECQL P46063 1/20 0.40
▸ EGFR P00533 1/20 0.40

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
SCHEMBL10497704 0.89 ATG4B (0.44) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10497777 0.88 THRA (0.46) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10498322 0.86 HDAC4 (0.47) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10497836 0.85 P4HB (0.47) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10498288 0.85 SLC6A19 (0.45) MAOAMAOBATG4BPLA2G1BTHRA
SCHEMBL10498154 0.85 THRA (0.44) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10497705 0.84 THRA (0.44) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10497663 0.84 THRA (0.43) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL10498942 0.84 KCNK2 (0.43) ATG4BPLA2G1BTHRATHRBCYP1A2
SCHEMBL9339736 0.84 HDAC4 (0.44) ATG4BPLA2G1BTHRATHRBCYP1A2

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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