SCHEMBL7461587

SCHEMBL7461587

NS(=O)(=O)c1ccc(-c2nnn[nH]2)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA2 P00918 15/20 0.52
CA12 O43570 12/20 0.52
CA9 Q16790 12/20 0.52
CA1 P00915 12/20 0.46
CA14 Q9ULX7 5/20 0.46
MAOA P21397 4/20 0.44
MAOB P27338 4/20 0.44
TNKS O95271 1/20 0.43
USP2 O75604 1/20 0.41
TSHR P16473 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
AGO2 Q9UKV8 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
KIF11 P52732 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
SCHEMBL7806579 0.82
SCHEMBL6494935 0.82 PTGS2 (0.42)
SCHEMBL14419778 0.82 LMNA (0.41) TSHRTDP1
SCHEMBL2028396 0.80 ADH5 (0.32)
SCHEMBL14194264 0.79 ALDH1A1 (0.31)
SCHEMBL13411813 0.78 ADH5 (0.36)
SCHEMBL12742981 0.77 CA2 (0.38) CA2CA12CA9CA1CA14
SCHEMBL8824902 0.76 PFKFB3 (0.33)
SCHEMBL8824901 0.76 PFKFB3 (0.30)
SCHEMBL264036 0.75 NPC1 (0.42) TNKSUSP2TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP claimed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US claimed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP claimed
EP-0795548-B1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LTD (JP) 2002-07-03 EP disclosed
EP-0685478-B1 QUINOLINE DERIVATIVES UBE INDUSTRIES (JP) 2001-10-24 EP disclosed
US-5814631-A CHYMASE INHIBITOR, CARDIVASCULAR SUNTORY LIMITED (JP) 1998-09-29 US disclosed
WO-1998027092-A1 THIAZOLE COMPOUNDS AND METHODS OF MODULATING SIGNAL TRANSDUCTION SUGEN, INC. (US) 1998-06-25 WO disclosed
EP-0795548-A1 QUINAZOLINE DERIVATIVES AND USE THEREOF SUNTORY LIMITED (JP) 1997-09-17 EP disclosed
US-5591752-A LEUKOTRIENE ANTAGONIST, ANTIALLERGEN, ANTIINFLAMMATORY AGENT, DIBENZ(B,E)OXEPINE UBE INDUSTRIES, LTD. (JP) 1997-01-07 US disclosed
EP-0685478-A1 QUINOLINE DERIVATIVE UBE INDUSTRIES, LTD. (JP) 1995-12-06 EP disclosed