SCHEMBL9505608

SCHEMBL9505608

CS(=O)(=O)Nc1ccccc1SC1CCCCC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.55
ALDH1A1 P00352 3/20 0.41
KEAP1 Q14145 2/20 0.41
KMT2A Q03164 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
PTGS1 P23219 4/20 0.41
CETP P11597 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TRPV1 Q8NER1 6/20 0.39
NFE2L2 Q16236 1/20 0.39

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
SCHEMBL9501539 0.85 PSIP1 (0.46) PTGS2ALDH1A1L3MBTL1CETPSMN1; SMN2
SCHEMBL8091476 0.78 PTGS2 (0.55) PTGS2ALDH1A1KMT2APTGS1SMN1; SMN2
SCHEMBL9504735 0.76 CYP19A1 (0.61) PTGS2ALDH1A1KMT2APTGS1SMN1; SMN2
SCHEMBL11360737 0.76 CETP (0.54) ALDH1A1KMT2AL3MBTL1CETPSMN1; SMN2
SCHEMBL9502669 0.74 CYP19A1 (0.60) PTGS2ALDH1A1KMT2APTGS1SMN1; SMN2
SCHEMBL20495594 0.74 MAOA (0.44) ALDH1A1KMT2ACETPSMN1; SMN2
SCHEMBL30548748 0.74 MAOA (0.44) ALDH1A1KMT2ACETPSMN1; SMN2
SCHEMBL11353345 0.74 CETP (0.55) ALDH1A1KMT2AL3MBTL1CETPSMN1; SMN2
SCHEMBL11367064 0.74 CETP (0.51) ALDH1A1KMT2AL3MBTL1CETPSMN1; SMN2
SCHEMBL11359720 0.73 CETP (0.54) KMT2AL3MBTL1CETPSMN1; SMN2

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