SCHEMBL7344928

SCHEMBL7344928

O=S(=O)(c1sccc1Br)n1cccc1.O=S(=O)(c1sccc1Br)n1cccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.39
CA2 P00918 2/20 0.39
FBP1 P09467 1/20 0.33
MAPT P10636 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31
PKM P14618 2/20 0.31
POLB P06746 1/20 0.30
CA12 O43570 1/20 0.30
CA7 P43166 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL3697389 1.00 CA1 (0.39) CA1CA2FBP1MAPTRXFP1
SCHEMBL3701952 0.79 EDNRA (0.32)
SCHEMBL6970430 0.74 CA1 (0.40) CA1CA2FBP1MAPT
SCHEMBL1927671 0.73 CA2 (0.41) CA1CA2POLBCA12CA7
SCHEMBL1927669 0.70 POLB (0.31) CA1CA2POLBCA12CA7
SCHEMBL3059991 0.70 POLB (0.34) CA1CA2POLBCA12CA7
SCHEMBL1927038 0.70 ALDH1A1 (0.31) CA1CA2POLBCA12CA7
SCHEMBL9843392 0.70 POLB (0.34) CA1CA2POLBCA12CA7
Hydrochloric Acid SCHEMBL28079593 0.68 POLB (0.33) CA1CA2POLBCA12CA7
SCHEMBL24254266 0.67 PKM (0.60) MAPTPKMPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0980369-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 2000-02-23 EP disclosed
WO-1998049162-A1 SULFONAMIDES FOR TREATMENT OF ENDOTHELIN-MEDIATED DISORDERS TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-11-05 WO disclosed
EP-0819125-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1998-01-21 EP disclosed
WO-1996031492-A1 THIENYL-, FURYL-, PYRROLYL- AND BIPHENYLSULFONAMIDES AND DERIVATIVES THEREOF THAT MODULATE THE ACTIVITY OF ENDOTHELIN TEXAS BIOTECHNOLOGY CORPORATION (US) 1996-10-10 WO disclosed