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
SCHEMBL7230646 0.88 CASP6 (0.55) CASP6FGF1ALDH1A1LMNAGAA
SCHEMBL7232469 0.88 CASP6 (0.58) CASP6FGF1ALDH1A1LMNASMN1; SMN2
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