SCHEMBL7224663

SCHEMBL7224663

O=C(Nc1cccc2cc(S(=O)(=O)O)ccc12)c1cc(NC(=O)c2ccccc2C(=O)O)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 0.52
TIMP3 P35625 2/20 0.50
HSD17B10 Q99714 1/20 0.50
PTGES O14684 1/20 0.48
MEN1 O00255 1/20 0.46
PKM P14618 1/20 0.46
KMT2A Q03164 1/20 0.46
RHOA P61586 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
APEX1 P27695 1/20 0.44
TDP1 Q9NUW8 1/20 0.43
ALOX5 P09917 1/20 0.42
TP53 P04637 1/20 0.42

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
SCHEMBL7224712 0.91 CASP6 (0.56) CASP6FGF1TIMP3HSD17B10PTGES
SCHEMBL7231701 0.91 CASP6 (0.56) CASP6FGF1TIMP3HSD17B10PTGES
SCHEMBL7233377 0.90 CASP6 (0.60) CASP6FGF1TIMP3HSD17B10PTGES
SCHEMBL4119604 0.90 CASP6 (0.63) CASP6FGF1HSD17B10MEN1PKM
SCHEMBL7233090 0.89 CASP6 (0.52) CASP6FGF1TIMP3HSD17B10PTGES
SCHEMBL7233875 0.89 CASP6 (0.57) CASP6FGF1TIMP3PTGESMEN1
SCHEMBL7224393 0.88 CASP6 (0.58) CASP6FGF1TIMP3HSD17B10PTGES
SCHEMBL7223574 0.88 FGF1 (0.60) CASP6FGF1TIMP3HSD17B10MEN1
SCHEMBL7230503 0.88 CASP6 (0.51) CASP6FGF1TIMP3HSD17B10PTGES
SCHEMBL7223972 0.86 FGF1 (0.63) CASP6FGF1TIMP3HSD17B10MEN1

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 3 patents. 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
EP-1200396-A1 NAPHTHYLSULFONIC ACIDS AND RELATED COMPOUNDS AS GLUCOSE UPTAKE AGONISTS TELIK, INC. (US) 2002-05-02 EP disclosed
WO-2001012591-A1 NOVEL NAPHTHYLSULFONIC ACIDS AND RELATED COMPOUNDS AS GLUCOSE UPTAKE AGONISTS TELIK, INC. (US) 2001-02-22 WO disclosed