SCHEMBL2483135

SCHEMBL2483135

N#Cc1cc(S(N)(=O)=O)ccc1F.N#Cc1cc(S(N)(=O)=O)ccc1NCC1CCOCC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 2/20 0.41
BRD4 O60885 2/20 0.39
PRKCQ Q04759 1/20 0.39
PRKCD Q05655 1/20 0.39
CNR2 P34972 2/20 0.38
CA2 P00918 8/20 0.37
CA1 P00915 3/20 0.37
CA9 Q16790 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
SCN5A Q14524 1/20 0.36
ACLY P53396 1/20 0.36
CNR1 P21554 1/20 0.35
CHEK1 O14757 1/20 0.35

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
SCHEMBL1700140 0.94 RORC (0.45) RORCBRD4PRKCQPRKCDCNR2
SCHEMBL1700047 0.83 CA1 (0.51) RORCBRD4CNR2CA2CA1
SCHEMBL1700200 0.78 MAPT (0.53) RORC
SCHEMBL1700398 0.77 BRD4 (0.48) RORCBRD4CNR2CA2CA1
SCHEMBL1700346 0.76 CA2 (0.51) RORCBRD4CNR2CA2CA1
SCHEMBL1700195 0.76 RORC (0.45) RORCBRD4CNR2CA2CA1
SCHEMBL1700150 0.76 CNR2 (0.51) RORCBRD4PRKCQPRKCDCNR2
SCHEMBL1497199 0.75 CA2 (0.52) CA2CA1CA9PTGS1PTGS2
SCHEMBL1700296 0.75 BRD4 (0.43) BRD4PRKCQPRKCDCNR2PTGS1
SCHEMBL1808959 0.75 RORC (0.51) RORCBRD4CNR2CA2CA1

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-2376480-A2 SULFONAMIDE DERIVATIVES AS BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES Abbott Laboratories (US) 2011-10-19 EP disclosed
WO-2010065865-A2 BCL-2-SELECTIVE APOPTOSIS-INDUCING AGENTS FOR THE TREATMENT OF CANCER AND IMMUNE DISEASES ABBOTT LABORATORIES (US) 2010-06-10 WO disclosed