SCHEMBL11435677

SCHEMBL11435677

Cc1ccc(N)c(C(=O)Nc2cc(O)cc3cc(S(=O)(=O)O)ccc23)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 4/20 0.43
▸ CTDSP1 Q9GZU7 1/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ HIF1A Q16665 1/20 0.41
▸ PRMT1 Q99873 1/20 0.39
▸ NSD2 O96028 1/20 0.39
▸ DUSP3 P51452 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ PTPN11 Q06124 1/20 0.39
▸ SNCA P37840 1/20 0.38
▸ CYP2C9 P11712 3/20 0.38
▸ HSD17B10 Q99714 3/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ PPARG P37231 1/20 0.37
▸ PPARD Q03181 1/20 0.37
▸ PPARA Q07869 1/20 0.37
▸ ENPP2 Q13822 3/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ KMT2A Q03164 2/20 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
SCHEMBL11426330 0.91 CASP6 (0.43) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11433970 0.91 CASP6 (0.41) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11423149 0.86 KCNMA1 (0.45) CASP6ALDH1A1HIF1APRMT1CYP2C19
SCHEMBL11438830 0.85 CYP2C9 (0.44) CASP6CTDSP1ALDH1A1HIF1ASNCA
SCHEMBL11425998 0.84 KCNMA1 (0.47) CASP6ALDH1A1HIF1ACYP2C19CYP1A2
SCHEMBL11433775 0.83 CASP6 (0.55) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11426061 0.83 CASP6 (0.40) CASP6CTDSP1ALDH1A1SNCACYP2C9
SCHEMBL11435673 0.83 CASP6 (0.48) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11427533 0.83 CASP6 (0.41) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11435627 0.81 ALDH1A1 (0.42) CASP6CTDSP1ALDH1A1CYP2C9HSD17B10

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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