SCHEMBL4662891

SCHEMBL4662891

NS(=O)(=O)c1ccccc1Cc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 11/20 0.47
CA1 P00915 10/20 0.47
CA9 Q16790 10/20 0.47
CA12 O43570 8/20 0.47
CA14 Q9ULX7 6/20 0.47
CA6 P23280 3/20 0.41
CA4 P22748 2/20 0.41
CA5A P35218 2/20 0.41
CA7 P43166 2/20 0.41
CA5B Q9Y2D0 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP17A1 P05093 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL407413 0.85 CA2 (0.50) CA2CA1CA9CA12CA14
SCHEMBL30988956 0.85 CA2 (0.50) CA2CA1CA9CA12CA14
Methane SCHEMBL28850761 0.84 CA2 (0.49) CA2CA1CA9CA12CA14
Hydrochloric Acid SCHEMBL3517386 0.84 CA1 (0.49) CA2CA1CA9CA12CA14
SCHEMBL16556192 0.83 CYP19A1 (0.41) CYP2C9CYP17A1CYP19A1CYP11B1CYP11B2
SCHEMBL5521913 0.82 CA2 (0.57) CA2CA1CA9CA12CYP2C9
SCHEMBL1876579 0.82 CA2 (0.50) CA2CA1CA9CA12CA14
SCHEMBL4636702 0.81 CA1 (0.37) CA2CA1CA9CA12CA14
SCHEMBL4664432 0.79 CA1 (0.42) CA2CA1CA9CA12CA14
SCHEMBL4663042 0.79 KCNA5 (0.43) CA2CA1CA9CA12CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107820429-B Novel compositions and methods for immunotherapy comprising small molecule integrin receptor-ligand agonist adjuvants 7山药物有限责任公司 2022-08-16 CN disclosed
WO-2015195684-A2 SMALL MOLECULE ANTI-SCARRING AGENTS UNIVERSITY OF ROCHESTER (US) 2015-12-23 WO disclosed
EP-2007760-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2008-12-31 EP disclosed
WO-2007108569-A1 NOVEL SUBSTITUTED-1, 1-DIOXO-BENZO[1,2,4]THIADIZIN-3-ONES, PREPARATION METHOD THEREOF, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME KOREA RESERACH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2007-09-27 WO disclosed
EP-1633732-A1 BENZYL SULFONAMIDE DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY (US) 2006-03-15 EP disclosed
EP-1492793-A1 NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES Almirall Prodesfarma, S.A. (ES) 2005-01-05 EP disclosed
WO-2004101544-A1 BENZYL SULFONAMIDE DERIVATIVES AS ANDROGEN RECEPTOR ANTAGONISTS WARNER-LAMBERT COMPANY LLC (US) 2004-11-25 WO disclosed
WO-2003082873-A1 NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES ALMIRALL PRODESFARMA, S.A. (ES) 2003-10-09 WO disclosed