SCHEMBL7224712

SCHEMBL7224712

O=C(Nc1cccc2cc(S(=O)(=O)O)ccc12)c1cc(NC(=O)c2ccccc2S(=O)(=O)O)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 2/20 0.56
TIMP3 P35625 3/20 0.54
FGF1 P05230 1/20 0.53
PTGES O14684 1/20 0.49
RHOA P61586 1/20 0.46
ALOX5 P09917 1/20 0.43
APEX1 P27695 2/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
CYP2D6 P10635 1/20 0.42
CD40 P25942 2/20 0.42
CD40LG P29965 2/20 0.42
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HSD17B10 Q99714 3/20 0.41
RECQL P46063 2/20 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
SCHEMBL7231701 0.92 CASP6 (0.56) CASP6TIMP3FGF1PTGESRHOA
SCHEMBL7224663 0.91 CASP6 (0.55) CASP6TIMP3FGF1PTGESRHOA
SCHEMBL7233875 0.90 CASP6 (0.57) CASP6TIMP3FGF1PTGESRHOA
SCHEMBL7233377 0.89 CASP6 (0.60) CASP6TIMP3FGF1PTGESRHOA
SCHEMBL7612242 0.86 CASP6 (0.48) CASP6TIMP3FGF1PTGESRHOA
SCHEMBL6240628 0.86 CASP6 (0.72) CASP6TIMP3FGF1RHOAALOX5
SCHEMBL7224369 0.86 CASP6 (0.57) CASP6TIMP3FGF1PTGESRHOA
SCHEMBL7230503 0.85 CASP6 (0.51) CASP6TIMP3FGF1PTGESRHOA
SCHEMBL7224393 0.85 CASP6 (0.58) CASP6TIMP3FGF1PTGESRHOA
SCHEMBL7223972 0.85 FGF1 (0.63) CASP6TIMP3FGF1RHOAALOX5

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