SCHEMBL17613352

SCHEMBL17613352

CCCCn1ncc(S(=O)(=O)Nc2ccc(-c3cccc(C(=O)O)c3)c3ccccc23)c1C

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.40
MCL1 Q07820 4/20 0.40
TDP1 Q9NUW8 2/20 0.40
KMT2A Q03164 1/20 0.38
PTPN11 Q06124 1/20 0.38
SLC16A3 O15427 1/20 0.37
ACLY P53396 1/20 0.36
RAD52 P43351 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
FABP4 P15090 1/20 0.36

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
SCHEMBL17599398 0.95 BRD4 (0.41) BRD4MCL1TDP1KMT2ASLC16A3
SCHEMBL17599365 0.87 TDP1 (0.41) BRD4MCL1TDP1KMT2ASLC16A3
SCHEMBL17599322 0.83 CCKBR (0.48) BRD4MCL1TDP1KMT2AACLY
SCHEMBL17599413 0.83 BRD4 (0.40) BRD4MCL1TDP1KMT2APTPN11
SCHEMBL17599355 0.81 PTK2B (0.43) BRD4TDP1SLC16A3ACLYRAD52
SCHEMBL17599325 0.80 TDP1 (0.39) BRD4MCL1TDP1KMT2AACLY
SCHEMBL17599388 0.75 ACLY (0.48) BRD4MCL1TDP1KMT2AACLY
SCHEMBL17599403 0.74 WDR5 (0.49) BRD4MCL1TDP1KMT2ASLC16A3
SCHEMBL17599351 0.74 KMT2A (0.45) BRD4MCL1TDP1KMT2ASLC16A3
SCHEMBL17599382 0.73 WDR5 (0.45) MCL1TDP1KMT2ASLC16A3ACLY

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2998294-A1 Naphthyl sulfonamide phenyl derivatives as KEAP-1 modulators for the treatment of diabetes, obesity, dyslipidemia and related disorders SANOFI (FR) 2016-03-23 EP disclosed