SCHEMBL3413658

SCHEMBL3413658

CC(C)(CCCCCNC(=O)NS(=O)(=O)c1ccc(C(=O)O)s1)NC(=O)NS(=O)(=O)c1ccc(C(=O)O)s1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FBP1 P09467 13/20 0.40
CYP2C9 P11712 2/20 0.36
TSHR P16473 2/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
ALB P02768 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
EPHX1 P07099 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL2007213 0.87 FBP1 (0.47) FBP1CYP2C9TSHRALDH1A1LMNA
SCHEMBL2007670 0.79 LMNA (0.56) FBP1CYP2C9TSHRALDH1A1LMNA
SCHEMBL3410883 0.76 HTT (0.54) FBP1CYP2C9TSHRALDH1A1LMNA
SCHEMBL2008042 0.73 FBP1 (0.53) FBP1CYP2C9TSHRALDH1A1LMNA
SCHEMBL2007912 0.73 FBP1 (0.53) FBP1CYP2C9TSHRALDH1A1LMNA
SCHEMBL2012755 0.71 KMT2A (0.56) FBP1TSHRALDH1A1HTTMEN1
SCHEMBL2008078 0.71 SMN1; SMN2 (0.55) FBP1HTTMEN1KMT2ASMN1; SMN2
SCHEMBL2015204 0.70 FBP1 (0.47) FBP1CYP2C9TSHRALDH1A1LMNA
SCHEMBL2008704 0.68 FBP1 (0.48) FBP1CYP2C9TSHRALDH1A1LMNA
SCHEMBL26144891 0.67 NPSR1 (0.47) CYP2C9ALDH1A1LMNAMEN1KMT2A

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-2081889-B1 SULFONAMIDE DERIVATIVES HOFFMANN LA ROCHE (CH) 2010-12-22 EP claimed