SCHEMBL4736397

SCHEMBL4736397

CC(C)c1cc2c(cc1S(=O)(=O)Cl)S(O)(O)c1cc(F)ccc1C(=O)N2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.36
PDGFRB P09619 4/20 0.33
EGFR P00533 2/20 0.33
ERBB2 P04626 2/20 0.33
ALK Q9UM73 1/20 0.32
BACE1 P56817 1/20 0.32
KDR P35968 2/20 0.31
BRD4 O60885 1/20 0.31
CASP3 P42574 1/20 0.31
IGF1R P08069 1/20 0.31
NOX4 Q9NPH5 1/20 0.31
FLT3 P36888 1/20 0.30

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
SCHEMBL4736394 0.88 TGM2 (0.34) TGM2BACE1KDRBRD4
SCHEMBL4732884 0.86 EGFR (0.39) TGM2PDGFRBEGFRERBB2CASP3
SCHEMBL4734122 0.78 HTR1A (0.38)
SCHEMBL4732880 0.76 KMT2A (0.37) PDGFRBEGFRERBB2IGF1RNOX4
SCHEMBL4734290 0.70 HTR1A (0.35) BRD4
SCHEMBL4734165 0.69 TAAR1 (0.40)
SCHEMBL4733337 0.69 HTR1A (0.35) BRD4
SCHEMBL4734123 0.69 HTR1A (0.38)
SCHEMBL4734722 0.68 HCAR3 (0.33)
SCHEMBL2814293 0.67 PSEN1 (0.44)

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
WO-2008061029-A1 ARYL SULFONAMIDE DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 WO disclosed