SCHEMBL7224438

SCHEMBL7224438

O=C(Nc1cc(C(=O)Nc2cccc3ccccc23)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1)c1cccc(Cl)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 1/20 0.55
CASP6 P55212 1/20 0.54
FGF1 P05230 1/20 0.51
TIMP3 P35625 2/20 0.49
NPC1 O15118 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
RAB9A P51151 1/20 0.49
KAT6A Q92794 1/20 0.47
ALOX5 P09917 1/20 0.47
KCNK3 O14649 1/20 0.46
KCNK9 Q9NPC2 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45

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
SCHEMBL7233931 0.97 CASP6 (0.57) PTGESCASP6FGF1TIMP3CYP1A2
SCHEMBL7231411 0.92 CASP6 (0.52) PTGESCASP6FGF1TIMP3CYP1A2
SCHEMBL7223935 0.91 CASP6 (0.51) PTGESCASP6FGF1TIMP3CYP1A2
SCHEMBL7233377 0.89 CASP6 (0.60) PTGESCASP6FGF1TIMP3NPC1
SCHEMBL7233109 0.89 FGF1 (0.59) PTGESCASP6FGF1TIMP3NPC1
SCHEMBL7231701 0.88 CASP6 (0.56) PTGESCASP6FGF1TIMP3NPC1
SCHEMBL7224393 0.87 CASP6 (0.58) PTGESCASP6FGF1TIMP3NPC1
SCHEMBL7222503 0.87 TIMP3 (0.58) PTGESCASP6FGF1TIMP3NPC1
SCHEMBL7224369 0.86 CASP6 (0.57) PTGESCASP6FGF1TIMP3NPC1
SCHEMBL7233849 0.86 CASP6 (0.70) PTGESCASP6FGF1TIMP3NPC1

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