SCHEMBL1959347

SCHEMBL1959347

CN(c1cc(Cl)c(S(N)(=O)=O)cc1F)C1CCOCC1.NS(=O)(=O)c1cc(F)c(F)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.39
CA2 P00918 11/20 0.38
CA1 P00915 10/20 0.38
CA12 O43570 8/20 0.38
CA9 Q16790 8/20 0.38
CA4 P22748 7/20 0.38
CA6 P23280 7/20 0.38
CA7 P43166 7/20 0.38
CA14 Q9ULX7 7/20 0.38
CA5B Q9Y2D0 7/20 0.38
CA13 Q8N1Q1 6/20 0.38
CA3 P07451 5/20 0.38
CA5A P35218 4/20 0.38
PTGS1 P23219 1/20 0.34
PTGS2 P35354 1/20 0.34
FFAR2 O15552 1/20 0.33
P2RX4 Q99571 3/20 0.33
PTGES2 Q9H7Z7 1/20 0.32
LMNA P02545 1/20 0.32
THRB P10828 1/20 0.32

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
SCHEMBL1700042 0.97 ENPP2 (0.41) ENPP2CA2CA1CA12CA9
SCHEMBL1700045 0.76 CA2 (0.42) CA2CA1CA12CA9CA4
SCHEMBL1700160 0.74 CA2 (0.44) ENPP2CA2CA1CA12CA9
SCHEMBL1700343 0.73 PTGS1 (0.43) CA2CA1CA12CA9CA4
SCHEMBL1699945 0.73 CA1 (0.57) CA2CA1CA12CA9CA4
SCHEMBL1959351 0.71 SCN5A (0.48) CA2CA1P2RX4PTGES2CISD1
SCHEMBL1700396 0.69 ALDH1A1 (0.42) CA2CA1CA12CA9CA4
SCHEMBL1700044 0.68 SCN5A (0.49) CA2CA1CA6CA7CA5B
SCHEMBL2483132 0.67 HSP90AA1 (0.34) CA2CA1CA12CA9CA4
SCHEMBL1700199 0.67 HTT (0.47) CA2CA1CA12CA9LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2507229-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2012-10-10 EP disclosed
WO-2011068561-A1 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2011-06-09 WO disclosed