SCHEMBL140691

SCHEMBL140691

CS(=O)(=O)Nc1cccc2cc(S(=O)(=O)O)ccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.68
KEAP1 Q14145 2/20 0.61
RHOA P61586 1/20 0.53
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
GLO1 Q04760 2/20 0.44
HTT P42858 2/20 0.44
ALOX15 P16050 1/20 0.44
NR3C1 P04150 1/20 0.44
PGR P06401 1/20 0.44
NR3C2 P08235 1/20 0.44
AR P10275 1/20 0.44
HSD17B10 Q99714 3/20 0.43
KDM4E B2RXH2 2/20 0.43
HPGD P15428 1/20 0.43
ALDH1A1 P00352 3/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
EP300 Q09472 1/20 0.43
KAT2B Q92831 1/20 0.43

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
SCHEMBL10934591 0.88 KEAP1 (0.61) CASP6KEAP1RHOAGLO1HTT
SCHEMBL4303416 0.86 CASP6 (0.73) CASP6KEAP1RHOAHSD17B10KDM4E
SCHEMBL14594651 0.84 CASP6 (0.51) CASP6KEAP1RHOAHSD17B10ALDH1A1
SCHEMBL7225514 0.81 CASP6 (1.00) CASP6RHOAKDM4EHPGDALDH1A1
SCHEMBL18268225 0.81 CASP6 (0.66) CASP6KEAP1RHOAHSD17B10KDM4E
SCHEMBL4107132 0.79 CASP6 (0.97) CASP6RHOAKDM4EHPGDALDH1A1
SCHEMBL11517936 0.79 CASP6 (0.64) CASP6RHOAHSD17B10KDM4EALDH1A1
SCHEMBL10530262 0.79 CASP6 (0.60) CASP6RHOAHSD17B10KDM4EHPGD
SCHEMBL31661371 0.78 CASP6 (0.63) CASP6RHOAHTTHSD17B10KDM4E
SCHEMBL179730 0.78 CASP6 (0.63) CASP6RHOAHTTHSD17B10KDM4E

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
US-20120056931-A1 MAGENTA COLORING MATTER, INK COMPOSITION, AND COLORED BODY NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2012-03-08 US disclosed