SCHEMBL7594239

SCHEMBL7594239

CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(Br)c(Br)cc2NS(=O)(=O)c2ccc(NC(C)=O)cc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.61
LMNA P02545 3/20 0.60
CA1 P00915 1/20 0.59
CA2 P00918 1/20 0.59
MMP1 P03956 1/20 0.59
MMP2 P08253 1/20 0.59
MMP9 P14780 1/20 0.59
MMP8 P22894 1/20 0.59
MMP13 P45452 1/20 0.59
HTT P42858 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.58
IDO1 P14902 2/20 0.58
MAPK1 P28482 2/20 0.57
ALDH1A1 P00352 2/20 0.57
KDM4E B2RXH2 2/20 0.57
HPGD P15428 1/20 0.57
CASP1 P29466 1/20 0.57
CASP7 P55210 1/20 0.57
HSD17B10 Q99714 1/20 0.57
CYP2C9 P11712 1/20 0.57

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
SCHEMBL7574036 0.87 PKM (0.68) PKMLMNAHTTSMN1; SMN2IDO1
SCHEMBL5595046 0.83 HTT (0.60) LMNAHTTSMN1; SMN2KDM4ETSHR
SCHEMBL7591363 0.80 CA1 (0.66) LMNACA1CA2SMN1; SMN2ALDH1A1
SCHEMBL7837467 0.79 LMNA (0.63) PKMLMNACA1CA2MMP1
SCHEMBL4251593 0.77 IDO1 (0.77) PKMLMNACA1CA2HTT
SCHEMBL17103022 0.77 KMT2A (0.67) LMNAHTTSMN1; SMN2IDO1KDM4E
SCHEMBL11887610 0.77 MAPK1 (0.70) PKMLMNAHTTSMN1; SMN2IDO1
SCHEMBL5956125 0.77 ALDH1A1 (0.59) LMNACA1CA2HTTALDH1A1
SCHEMBL7589388 0.77 CCR2 (0.54) CA1CA2MMP1MMP2MMP9
SCHEMBL6351422 0.77 HTT (0.67) LMNAHTTSMN1; SMN2TSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1239852-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS Arrow Therapeutics Limited (GB) 2002-09-18 EP disclosed
WO-2001028537-A2 BISSULFONAMIDE DERIVATIVES AS ENZYME INHIBITORS ARROW THERAPEUTICS LIMITED (GB) 2001-04-26 WO disclosed