SCHEMBL28014672

SCHEMBL28014672

CS(=O)(=O)Nc1ccc(Sc2ccc(NS(C)(=O)=O)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 1/20 0.58
KEAP1 Q14145 1/20 0.58
ALDH1A1 P00352 4/20 0.57
HPGD P15428 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
LMNA P02545 2/20 0.57
KDM4E B2RXH2 1/20 0.57
HTT P42858 1/20 0.57
CA12 O43570 1/20 0.55
CA1 P00915 1/20 0.55
CA2 P00918 1/20 0.55
CA9 Q16790 1/20 0.55
KIF11 P52732 3/20 0.53
PGR P06401 1/20 0.50
SLC6A2 P23975 2/20 0.49
SLC6A4 P31645 2/20 0.49
SLC6A3 Q01959 2/20 0.49
NR3C2 P08235 2/20 0.48
MAPT P10636 2/20 0.48
CYP2C9 P11712 1/20 0.48

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
SCHEMBL4955654 0.86 KEAP1 (0.58) PTGIRKEAP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL12054668 0.85 KEAP1 (0.75) KEAP1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL14799102 0.84 ALDH1A1 (0.58) KEAP1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL11012812 0.83 KEAP1 (0.54) PTGIRKEAP1ALDH1A1HPGDSMN1; SMN2
SCHEMBL31041151 0.78 KIF11 (0.79) KEAP1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL82733 0.76 CA1 (0.64) KEAP1ALDH1A1HPGDSMN1; SMN2LMNA
Lithium SCHEMBL31041154 0.76 KIF11 (0.76) KEAP1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL522309 0.76 KEAP1 (0.62) KEAP1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL1488032 0.76 ALDH1A1 (0.68) KEAP1ALDH1A1HPGDSMN1; SMN2LMNA
SCHEMBL28819135 0.75 KEAP1 (0.55) KEAP1ALDH1A1HPGDSMN1; SMN2HTT

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
CN-104769021-A Substrate for flexible device, flexible device and method for producing same, laminate and method for producing same, and resin composition ASAHI KASEI E MATERIALS CORP 2015-07-08 CN disclosed