SCHEMBL27467613

SCHEMBL27467613

COc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)cccc2-c2cc(C)no2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.47
CA9 Q16790 4/20 0.47
MAPT P10636 1/20 0.47
PIK3CD O00329 1/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
CA12 O43570 2/20 0.44
PTGS1 P23219 4/20 0.44
MAPKAPK2 P49137 1/20 0.43
PTGS2 P35354 5/20 0.43
CSF1R P07333 1/20 0.42
TP53 P04637 1/20 0.42
CA1 P00915 2/20 0.42
MT-CO2 P00403 1/20 0.42
LMNA P02545 1/20 0.42
CA3 P07451 1/20 0.42
ADRB2 P07550 1/20 0.42
ADRB1 P08588 1/20 0.42
CYP3A4 P08684 1/20 0.42
ADORA3 P0DMS8 1/20 0.42

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
SCHEMBL7637675 0.79 CA2 (0.50) CA2CA9CA12PTGS1PTGS2
SCHEMBL7337110 0.79 CA2 (0.46) CA2CA9CA12PTGS1MAPKAPK2
SCHEMBL7637660 0.76 CA2 (0.54) CA2CA9MAPTPIK3CDPIK3CB
SCHEMBL6728058 0.74 PTGS2 (0.62) CA2CA9CA12PTGS1MAPKAPK2
SCHEMBL27454564 0.72 CA2 (0.56) CA2CA9CA12CA1CA4
SCHEMBL6170047 0.72 PTGS2 (0.74) CA2CA9CA12PTGS1PTGS2
SCHEMBL7212785 0.72 PTGS2 (0.47) CA2CA9MAPTPIK3CDPIK3CB
SCHEMBL10647488 0.71 CYP1A2 (0.64) MAPTCSF1RTP53NPC1
SCHEMBL6849995 0.69 PTGS2 (0.72) CA2CA9CA12PTGS1PTGS2
SCHEMBL6050764 0.69 PTGS2 (0.59) CA2CA9CA12PTGS1MAPKAPK2

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
CN-1130355-C Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 2003-12-10 CN disclosed
CN-1184470-A Thienyl-, Furyl-, Pyrrolyl- and biphenylsulfonamides and derivatives thereof that modulate the activity of endothelin TEXAS BIOTECHNOLOGY CORP (US) 1998-06-10 CN disclosed