SCHEMBL7223386

SCHEMBL7223386

O=C(Nc1cccc2cc(S(=O)(=O)O)ccc12)c1cc(NS(=O)(=O)c2ccc3ccccc3c2)cc(C(=O)Nc2cccc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 1/20 0.56
▸ FGF1 P05230 1/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ GPR27 Q9NS67 1/20 0.49
▸ LMNA P02545 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ SMN1; SMN2 Q16637 1/20 0.49
▸ TIMP3 P35625 1/20 0.48
▸ AKR1C3 P42330 1/20 0.48
▸ PLAU P00749 2/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ ATIC P31939 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ HSD17B10 Q99714 1/20 0.45
▸ MEN1 O00255 3/20 0.45
▸ KMT2A Q03164 3/20 0.45
▸ ATM Q13315 1/20 0.44
▸ HDAC3 O15379 1/20 0.43
▸ HDAC4 P56524 1/20 0.43
▸ HDAC1 Q13547 1/20 0.43

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
SCHEMBL7223951 0.93 CASP6 (0.57) CASP6FGF1ALDH1A1GPR27LMNA
SCHEMBL7232469 0.88 CASP6 (0.58) CASP6FGF1ALDH1A1LMNASMN1; SMN2
SCHEMBL7230646 0.88 CASP6 (0.55) CASP6FGF1ALDH1A1LMNAGAA
SCHEMBL7224703 0.88 CASP6 (0.55) CASP6FGF1ALDH1A1GPR27GAA
SCHEMBL7224369 0.88 CASP6 (0.57) CASP6FGF1ALDH1A1GPR27GAA
SCHEMBL7230479 0.88 CASP6 (0.55) CASP6FGF1ALDH1A1LMNASMN1; SMN2
SCHEMBL7223974 0.88 CASP6 (0.54) CASP6FGF1ALDH1A1LMNATIMP3
SCHEMBL6240628 0.86 CASP6 (0.72) CASP6FGF1ALDH1A1LMNATIMP3
SCHEMBL7233377 0.84 CASP6 (0.60) CASP6FGF1ALDH1A1TIMP3CYP2C9
SCHEMBL7223317 0.84 CASP6 (0.55) CASP6FGF1ALDH1A1LMNAGAA

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 1 patent. 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
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