SCHEMBL7416834

SCHEMBL7416834

Cc1[nH]c2cc(F)ccc2c(=O)c1C[S+](C)[O-]

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.48
▸ PTGS1 P23219 6/20 0.44
▸ PTGS2 P35354 6/20 0.44
▸ HTT P42858 1/20 0.41
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ PARP1 P09874 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TMEM97 Q5BJF2 1/20 0.39
▸ SIGMAR1 Q99720 1/20 0.39
▸ DRD3 P35462 1/20 0.38
▸ FEN1 P39748 1/20 0.38
▸ TNKS2 Q9H2K2 1/20 0.37
▸ DAO P14920 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
SCHEMBL6227910 0.79 MEN1 (0.43) SLC2A1PTGS1PTGS2HTTMEN1
SCHEMBL6229784 0.79 MEN1 (0.43) SLC2A1PTGS1PTGS2HTTMEN1
SCHEMBL6224556 0.79 MEN1 (0.43) SLC2A1PTGS1PTGS2HTTMEN1
SCHEMBL10481523 0.72 KDM4E (0.52) SLC2A1PTGS1PTGS2HTTMEN1
SCHEMBL21082250 0.71 PTGS1 (0.53) SLC2A1PTGS1PTGS2HTTMEN1
SCHEMBL6225217 0.70 LMNA (0.51) SLC2A1PTGS1PTGS2HTTMEN1
SCHEMBL7159367 0.70 PTGS1 (0.46) SLC2A1PTGS1PTGS2HTTMEN1
SCHEMBL11401420 0.69 GPR84 (0.45) KDM4EDAO
SCHEMBL31381374 0.69 KDM4E (0.63) PTGS1PTGS2MEN1KMT2AKDM4E
SCHEMBL6520890 0.68 HTR1D (0.55) SLC2A1PTGS1PTGS2HTTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0651640-A1 USE OF 7-FLUORO-1-METHYL-3-METHYLSULPHINYL-4-QUINOLONE IN THE TREATMENT OF ANGINA PECTORIS Knoll AG (DE) 1995-05-10 — — EP disclosed
WO-1994002144-A1 USE OF 7-FLUORO-1-METHYL-3-METHYLSULPHINYL-4-QUINOLONE IN THE TREATMENT OF ANGINA PECTORIS THE BOOTS COMPANY PLC (GB) 1994-02-03 — — WO disclosed
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