SCHEMBL9501539

SCHEMBL9501539

CCS(=O)(=O)Nc1ccccc1SC1CCCCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSIP1 O75475 1/20 0.46
PTGS2 P35354 1/20 0.41
CA2 P00918 2/20 0.39
CETP P11597 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ADRA2A P08913 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
HTT P42858 1/20 0.37
LMNA P02545 2/20 0.36
HPGD P15428 2/20 0.36
NR3C1 P04150 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL9505608 0.85 PTGS2 (0.55) PTGS2CETPALDH1A1SMN1; SMN2L3MBTL1
SCHEMBL9502657 0.77 CYP19A1 (0.47) PTGS2CA2ALDH1A1SMN1; SMN2LMNA
SCHEMBL11360737 0.74 CETP (0.54) CETPALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL30548748 0.72 MAOA (0.44) CA2CETPALDH1A1SMN1; SMN2LMNA
SCHEMBL12768022 0.72 PSIP1 (0.73) PSIP1PTGS2ALDH1A1SMN1; SMN2HTT
SCHEMBL20495594 0.72 MAOA (0.44) CA2CETPALDH1A1SMN1; SMN2LMNA
SCHEMBL11367064 0.72 CETP (0.51) CETPALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL11353345 0.72 CETP (0.55) CETPALDH1A1SMN1; SMN2NPSR1HTT
SCHEMBL11359720 0.71 CETP (0.54) CETPSMN1; SMN2NPSR1HTTLMNA
SCHEMBL5143535 0.69 PSIP1 (0.63) PSIP1PTGS2SMN1; SMN2HTTLMNA

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
EP-0317332-B1 SULFONANILIDE COMPOUNDS TAISHO PHARMACEUTICAL CO. LTD (JP) 1993-05-19 EP disclosed
US-4885367-A ANTIINFLAMMATORY AGENTS, ANTIPYRETICS, ANALGESICS; SIDE EFFECT REDUCTION TAISHO PHARMACEUTICAL CO., LTD. (JP) 1989-12-05 US disclosed
EP-0317332-A2 Sulfonanilide compounds TAISHO PHARMACEUTICAL CO. LTD (JP) 1989-05-24 EP disclosed