SCHEMBL11433105

SCHEMBL11433105

Cc1ccc(N)c(C(=O)Nc2ccc3ccc(S(=O)(=O)O)cc3c2O)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 1/20 0.42
▸ KLK1 P06870 1/20 0.42
▸ CYP2C9 P11712 3/20 0.41
▸ HSD17B10 Q99714 3/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ CASP6 P55212 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SNCA P37840 1/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KCNMA1 Q12791 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ GAA P10253 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL11438830 0.92 CYP2C9 (0.44) PLGKLK1CYP2C9HSD17B10CYP2C19
SCHEMBL11425760 0.91 PLG (0.44) PLGKLK1CYP2C9HSD17B10CYP2C19
SCHEMBL11426602 0.86 KCNMA1 (0.48) CYP2C19ALDH1A1KMT2AMAPTKCNMA1
SCHEMBL11425646 0.84 ALDH1A1 (0.42) PLGKLK1CYP2C9HSD17B10CYP2C19
SCHEMBL11435627 0.84 ALDH1A1 (0.42) CYP2C9HSD17B10CASP6ALDH1A1KMT2A
SCHEMBL11433122 0.84 ALDH1A1 (0.42) CYP2C9HSD17B10CASP6ALDH1A1KMT2A
SCHEMBL11433368 0.84 KCNMA1 (0.51) PLGKLK1CYP2C9CYP2C19ALDH1A1
SCHEMBL11440638 0.83 CYP2C9 (0.44) PLGKLK1CYP2C9HSD17B10CYP2C19
SCHEMBL11433102 0.82 CASP6 (0.42) CYP2C9HSD17B10CYP2C19CASP6ALDH1A1
SCHEMBL11427862 0.82 SNCA (0.44) CYP2C9HSD17B10CYP2C19CASP6ALDH1A1

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-4216165-A Amine precursors to ureide inhibitors of connective tissue destruction AMERICAN CYANAMID COMPANY (US) 1980-08-05 — — US disclosed
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