SCHEMBL7223972

SCHEMBL7223972

O=C(Nc1ccccc1)Nc1cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGF1 P05230 1/20 0.63
TIMP3 P35625 6/20 0.62
CASP6 P55212 1/20 0.58
MAPT P10636 4/20 0.52
KDM4E B2RXH2 3/20 0.52
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
CYP1A2 P05177 5/20 0.50
POLB P06746 4/20 0.50
RECQL P46063 4/20 0.50
HSD17B10 Q99714 4/20 0.50
TDP1 Q9NUW8 4/20 0.50
USP2 O75604 2/20 0.50
ALDH1A1 P00352 1/20 0.50
RHOA P61586 1/20 0.47
CYP3A4 P08684 3/20 0.47
CYP2C9 P11712 3/20 0.47
CYP2C19 P33261 3/20 0.47

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
SCHEMBL7233377 0.91 CASP6 (0.60) FGF1TIMP3CASP6MEN1KMT2A
SCHEMBL7234616 0.90 FGF1 (0.62) FGF1TIMP3CASP6MAPTKDM4E
SCHEMBL7226724 0.90 FGF1 (0.62) FGF1TIMP3CASP6MAPTKDM4E
SCHEMBL7225097 0.90 TIMP3 (0.58) FGF1TIMP3CASP6MAPTKDM4E
SCHEMBL7222503 0.90 TIMP3 (0.58) FGF1TIMP3CASP6MAPTKDM4E
SCHEMBL7224031 0.89 TIMP3 (0.57) FGF1TIMP3CASP6MAPTKDM4E
SCHEMBL7224576 0.89 TIMP3 (0.57) FGF1TIMP3CASP6MAPTKDM4E
SCHEMBL6240628 0.88 CASP6 (0.72) FGF1TIMP3CASP6MEN1KMT2A
SCHEMBL7223106 0.88 FGF1 (0.59) FGF1TIMP3CASP6MAPTKDM4E
SCHEMBL7222203 0.87 TIMP3 (0.54) FGF1TIMP3CASP6MAPTMEN1

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