SCHEMBL7223298

SCHEMBL7223298

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

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 4/20 0.64
▸ FGF1 P05230 1/20 0.54
▸ TIMP3 P35625 2/20 0.49
▸ CTDSP1 Q9GZU7 1/20 0.48
▸ RHOA P61586 1/20 0.46
▸ ALOX5 P09917 1/20 0.46
▸ CYP2C9 P11712 2/20 0.46
▸ CYP2C19 P33261 2/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ CYP1A2 P05177 2/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ APEX1 P27695 1/20 0.45
▸ SIRT2 Q8IXJ6 1/20 0.44
▸ SIRT1 Q96EB6 1/20 0.44
▸ ALDH1A1 P00352 2/20 0.43
▸ HSD17B10 Q99714 2/20 0.43
▸ CA12 O43570 1/20 0.42
▸ CA1 P00915 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
SCHEMBL6240628 0.94 CASP6 (0.72) CASP6FGF1TIMP3CTDSP1RHOA
SCHEMBL6243020 0.89 CASP6 (0.66) CASP6FGF1TIMP3CTDSP1RHOA
SCHEMBL11597730 0.87 CASP6 (0.56) CASP6FGF1TIMP3CTDSP1CYP2C9
SCHEMBL4119552 0.85 CASP6 (0.67) CASP6FGF1TIMP3CTDSP1RHOA
SCHEMBL7231212 0.84 CASP6 (0.75) CASP6FGF1TIMP3RHOAALOX5
SCHEMBL7222842 0.84 ALOX5 (0.68) CASP6FGF1TIMP3CTDSP1ALOX5
SCHEMBL7233377 0.84 CASP6 (0.60) CASP6FGF1TIMP3CTDSP1RHOA
SCHEMBL6242889 0.83 CASP6 (0.57) CASP6FGF1TIMP3ALOX5CYP2C9
SCHEMBL7223972 0.82 FGF1 (0.63) CASP6FGF1TIMP3RHOAALOX5
SCHEMBL7224393 0.82 CASP6 (0.58) CASP6FGF1TIMP3RHOACYP2C9

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
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