SCHEMBL11426330

SCHEMBL11426330

Cc1ccc(C(=O)Nc2cc(O)cc3cc(S(=O)(=O)O)ccc23)c(N)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 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ CYP1A2 P05177 2/20 0.37
▸ ENPP2 Q13822 4/20 0.36
▸ APEX1 P27695 1/20 0.36
▸ NPC1 O15118 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ NT5E P21589 1/20 0.35
▸ GAA P10253 1/20 0.35

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
SCHEMBL11435677 0.91 CASP6 (0.43) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11427533 0.91 CASP6 (0.41) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11440638 0.85 CYP2C9 (0.44) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11425998 0.84 KCNMA1 (0.47) CASP6ALDH1A1HIF1ACYP2C19CYP1A2
SCHEMBL11428916 0.83 CASP6 (0.55) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11433970 0.83 CASP6 (0.41) CASP6CTDSP1ALDH1A1HIF1APRMT1
SCHEMBL11426651 0.83 CASP6 (0.40) CASP6CTDSP1ALDH1A1NSD2SNCA
SCHEMBL11423149 0.82 KCNMA1 (0.45) CASP6ALDH1A1HIF1APRMT1CYP2C19
SCHEMBL11433918 0.81 SNCA (0.44) CASP6CTDSP1ALDH1A1SNCACYP2C9
SCHEMBL11426166 0.81 CASP6 (0.64) CASP6CTDSP1PRMT1NSD2DUSP3

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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