SCHEMBL7230646

SCHEMBL7230646

O=C(Nc1cccc2cc(S(=O)(=O)O)ccc12)c1cc(NS(=O)(=O)c2ccc(F)cc2)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 1/20 0.55
FGF1 P05230 1/20 0.49
TIMP3 P35625 1/20 0.47
CYP2C9 P11712 1/20 0.44
ATIC P31939 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 2/20 0.43
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
PTPN1 P18031 1/20 0.43
HSD17B1 P14061 1/20 0.43
HSD17B2 P37059 1/20 0.43
PHGDH O43175 1/20 0.42
STING1 Q86WV6 1/20 0.42
MIF P14174 1/20 0.42
GAA P10253 1/20 0.41

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
SCHEMBL7223951 0.92 CASP6 (0.57) CASP6FGF1TIMP3CYP2C9ATIC
SCHEMBL7224703 0.90 CASP6 (0.55) CASP6FGF1TIMP3CYP2C9ATIC
SCHEMBL7232469 0.90 CASP6 (0.58) CASP6FGF1TIMP3CYP2C9CYP2C19
SCHEMBL7232290 0.89 FGF1 (0.59) CASP6FGF1TIMP3CYP2C9CYP2C19
SCHEMBL7223386 0.88 CASP6 (0.56) CASP6FGF1TIMP3CYP2C9ATIC
SCHEMBL7230479 0.87 CASP6 (0.55) CASP6FGF1TIMP3MEN1KMT2A
SCHEMBL6240628 0.85 CASP6 (0.72) CASP6FGF1TIMP3CYP2C9CYP2C19
SCHEMBL7223974 0.84 CASP6 (0.54) CASP6FGF1TIMP3CYP2C9CYP2C19
SCHEMBL7231334 0.84 CASP6 (0.56) CASP6FGF1TIMP3HSD17B10MEN1
SCHEMBL7223317 0.83 CASP6 (0.55) CASP6FGF1TIMP3CYP2C19HSD17B10

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-6653321-B1 Stimulating kinase activity of insulin receptor; type II diabetes; hyperglycemia TELIK, INC. 2003-11-25 US disclosed