SCHEMBL3793259

SCHEMBL3793259

O=[C]c1ccc(NS(=O)(=O)O)cc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CA1 P00915 6/20 0.42
CA2 P00918 6/20 0.42
PTPRB P23467 10/20 0.40
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
PTPRA P18433 1/20 0.37
KDM1A O60341 1/20 0.36
HPGD P15428 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL4455223 0.83 PTPRB (0.48) CA1CA2PTPRBPTPN2PTPN1
SCHEMBL4639713 0.81 CA1 (0.66) CA1CA2KDM1AMEN1KMT2A
SCHEMBL6696494 0.78 KEAP1 (0.56) CA1CA2HPGDCA12CA9
SCHEMBL3059775 0.75 HPGD (0.60) CA1CA2HPGDKMT2A
SCHEMBL4591628 0.75 CA1 (0.64) CA1CA2PTPRBHPGDMEN1
SCHEMBL10587934 0.74 PTPN1 (0.59) CA1CA2PTPN1
SCHEMBL3088460 0.73 CA1 (0.61) CA1CA2MEN1KMT2ACA12
SCHEMBL7863309 0.73 PTPRB (0.42) CA1CA2PTPRBPTPN2PTPN1
SCHEMBL1230858 0.73 KEAP1 (0.53) CA1CA2PTPRBPTPN2PTPN1
SCHEMBL3041175 0.73 CA1 (0.52) CA1CA2PTPRBPTPN2PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010127381-A1 DIAGNOSIS, MONITORING, PROGNOSIS, PREVENTION AND TREATMENT OF ANEURYSMS JAMES COOK UNIVERSITY (AU) 2010-11-11 WO disclosed
US-7427496-B2 Anti-cancer compounds THE REGENTS OF THE UNIVERSITY OF COLORADO (US) 2008-09-23 US disclosed
US-20060183772-A1 To inhibit tumor growth in an animal; to induce apoptosis NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-08-17 US disclosed