SCHEMBL4662893

SCHEMBL4662893

O=S(=O)(NCc1ccncc1)c1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 1.00
LMNA P02545 4/20 1.00
KEAP1 Q14145 1/20 0.76
HTT P42858 4/20 0.71
TDP1 Q9NUW8 1/20 0.71
NAMPT P43490 3/20 0.64
CA12 O43570 2/20 0.63
CA9 Q16790 2/20 0.63
CA1 P00915 1/20 0.63
CA2 P00918 1/20 0.63
RAB9A P51151 2/20 0.61
ALDH1A1 P00352 2/20 0.61
NR2F2 P24468 1/20 0.61
NPC1 O15118 1/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
ATM Q13315 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
POLB P06746 1/20 0.55

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
SCHEMBL27083363 0.90 SMN1; SMN2 (0.82) SMN1; SMN2LMNAKEAP1HTTTDP1
SCHEMBL407414 0.87 KEAP1 (1.00) SMN1; SMN2LMNAKEAP1HTTCA12
Hydrochloric Acid SCHEMBL3516799 0.85 KEAP1 (0.96) SMN1; SMN2LMNAKEAP1HTTCA12
SCHEMBL27083360 0.84 SMN1; SMN2 (0.73) SMN1; SMN2LMNAHTTNAMPTRAB9A
SCHEMBL7663045 0.83 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTNAMPTCA12
SCHEMBL18725052 0.83 KEAP1 (0.71) SMN1; SMN2LMNAKEAP1NAMPTCA12
SCHEMBL3923271 0.83 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTNAMPTRAB9A
SCHEMBL11177620 0.83 TDP1 (1.00) SMN1; SMN2LMNAHTTTDP1CA1
SCHEMBL4895465 0.83 SMN1; SMN2 (0.71) SMN1; SMN2LMNAHTTNAMPTRAB9A
SCHEMBL19358884 0.83 CXCR4 (0.73) SMN1; SMN2LMNAKEAP1HTTNAMPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1355807-A Thiazoloindolinone compounds GLAXO GROUP LTD (GB) 2002-06-26 CN claimed
WO-2022217239-A1 INHIBITORS OF PU.1 FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2022-10-13 WO disclosed
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
CN-107820429-A Include the new compositions and method for immunization therapy of small molecule integrin receptors ligand activator adjuvant 7山利益有限责任公司 2018-03-20 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
EP-1443041-A1 5-AMIDINO-2-HYDROXYBENZENESULFONAMIDE DERIVATIVES, MEDICINAL COMPOSITIONS CONTAINING THE SAME, MEDICINAL USE THEREOF AND INTERMEDIATES IN THE PRODUCTION THEREOF Kissei Pharmaceutical Co., Ltd. (JP) 2004-08-04 EP disclosed
WO-2003082873-A1 NEW-4-(PYRROLOPYRIMIDIN-6-YL)BENZENESULPHONAMIDE DERIVATIVES ALMIRALL PRODESFARMA, S.A. (ES) 2003-10-09 WO disclosed
CN-1355807-A Thiazoloindolinone compounds GLAXO GROUP LTD (GB) 2002-06-26 CN disclosed