SCHEMBL7807280

SCHEMBL7807280

NS(=O)(=O)c1ccc(C(=C2CCOC2=O)c2ccc(Cl)cc2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 13/20 0.49
CA2 P00918 13/20 0.49
CA9 Q16790 13/20 0.49
CA4 P22748 7/20 0.49
CA12 O43570 5/20 0.49
CA7 P43166 3/20 0.49
CA14 Q9ULX7 3/20 0.49
CA3 P07451 1/20 0.49
CA6 P23280 1/20 0.49
CA5A P35218 1/20 0.49
CA13 Q8N1Q1 1/20 0.49
CA5B Q9Y2D0 1/20 0.49
MAOA P21397 2/20 0.48
MAOB P27338 2/20 0.48
PTGS2 P35354 3/20 0.44
PTGS1 P23219 2/20 0.44
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
ALDH1A1 P00352 1/20 0.41
ALOX12 P18054 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
SCHEMBL7802258 1.00 CA1 (0.49) CA1CA2CA9CA4CA12
SCHEMBL7802143 0.91 CA2 (0.43) CA1CA2CA9CA4CA12
SCHEMBL7802138 0.91 CA2 (0.43) CA1CA2CA9CA4CA12
SCHEMBL8663751 0.89 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL7814069 0.89 CA1 (0.52) CA1CA2CA9CA12CA7
SCHEMBL7802217 0.87 PTGS1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL7802214 0.87 PTGS1 (0.46) CA1CA2CA9CA12CA7
SCHEMBL215270 0.86 CA1 (0.49) CA1CA2CA9CA4CA12
SCHEMBL7810988 0.86 PTGS1 (0.48) CA1CA2CA9CA4CA12
SCHEMBL7802166 0.86 PTGS1 (0.48) CA1CA2CA9CA4CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP claimed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO claimed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP claimed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO claimed
EP-0891345-B1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF UNION PHARMA SCIENT APPL (FR) 2001-08-16 EP disclosed
US-6180651-B1 ANTIINFLAMMATORY AGENTS; ANALGESICS BRISTOL-MYERS SQUIBB 2001-01-30 US disclosed
WO-2000014082-A1 DIARYLMETHYLIDENE FURAN DERIVATIVES AS DRUGS WITH ANTI-INFLAMMATORY, ANALGESIC AND CHEMOPREVENTIVE PROPERTIES LABORATORIES UPSA (FR) 2000-03-16 WO disclosed
EP-0891345-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1999-01-20 EP disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO disclosed