SCHEMBL7808696

SCHEMBL7808696

CS(=O)(=O)c1ccc(C(=O)c2cccc(Br)c2)cc1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.60
AKR1C3 P42330 1/20 0.57
AKR1C2 P52895 1/20 0.57
BRD4 O60885 1/20 0.52
ITGA1 P56199 1/20 0.49
CA1 P00915 3/20 0.48
CA2 P00918 3/20 0.48
CA9 Q16790 3/20 0.48
CA12 O43570 1/20 0.48
CA7 P43166 1/20 0.48
CA14 Q9ULX7 1/20 0.48
PARP1 P09874 1/20 0.47
FLT1 P17948 1/20 0.47
FLT4 P35916 1/20 0.47
KDR P35968 1/20 0.47
CCR9 P51686 1/20 0.45

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
SCHEMBL3838580 0.84 PARP1 (0.63) BRD4PARP1
SCHEMBL2156042 0.83 AKR1C3 (0.59) AKR1C3AKR1C2CA1CA2CCR9
SCHEMBL2280385 0.83 PTGS2 (0.56) PTGS2AKR1C3AKR1C2CA1CA2
SCHEMBL7810505 0.82 CNR2 (0.50) CA1CA2CA9PARP1
SCHEMBL3838117 0.81 PARP1 (0.59) AKR1C3BRD4ITGA1PARP1
SCHEMBL6583952 0.81 PTGS2 (0.65) PTGS2AKR1C3AKR1C2CA1CA2
SCHEMBL7802286 0.81 ADORA3 (0.61) PTGS2AKR1C3AKR1C2CA1CA2
SCHEMBL7810450 0.81 PTGS2 (0.58) PTGS2AKR1C3CA1CA2CA9
SCHEMBL241785 0.80 PARP1 (0.68) PARP1
SCHEMBL30153175 0.80 PARP1 (0.68) PARP1

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 5 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 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
US-5807873-A Diarylmethylidenefuran derivatives and their uses in therapeutics LABORATORIES UPSA (FR) 1998-09-15 US disclosed
WO-1997037984-A1 NOVEL FURAN DIARYLMETHYLIDENE DERIVATIVES, METHOD FOR THEIR PREPARATION AND THERAPEUTICAL USES THEREOF LABORATOIRES UPSA (FR) 1997-10-16 WO disclosed