SCHEMBL11425433

SCHEMBL11425433

Nc1ccc(C(=O)Nc2ccc3cc(S(=O)(=O)O)ccc3c2O)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASP6 P55212 4/20 0.62
CTDSP1 Q9GZU7 1/20 0.62
NT5E P21589 3/20 0.49
APEX1 P27695 1/20 0.47
NSD2 O96028 1/20 0.46
DUSP3 P51452 1/20 0.46
PTPN5 P54829 1/20 0.46
PTPN11 Q06124 1/20 0.46
TIMP3 P35625 2/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
ENPP2 Q13822 5/20 0.45
ALDH1A1 P00352 3/20 0.45
HSD17B10 Q99714 2/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42

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
SCHEMBL11424939 0.91 CASP6 (0.57) CASP6CTDSP1NT5EAPEX1NSD2
SCHEMBL11433757 0.87 HSD17B10 (0.50) CASP6CTDSP1NT5EAPEX1NSD2
SCHEMBL10907420 0.87 CASP6 (0.52) CASP6CTDSP1NT5EAPEX1TIMP3
SCHEMBL11352189 0.87 TIMP3 (0.57) CASP6CTDSP1NT5EAPEX1TIMP3
SCHEMBL11440636 0.85 CASP6 (0.46) CASP6CTDSP1NT5EAPEX1NSD2
SCHEMBL11438827 0.85 CASP6 (0.46) CASP6CTDSP1NT5EAPEX1NSD2
SCHEMBL11431241 0.85 MAPT (0.55) CASP6CTDSP1APEX1DUSP3PTPN5
SCHEMBL11436204 0.83 CASP6 (0.65) CASP6CTDSP1NT5EAPEX1NSD2
SCHEMBL11424860 0.83 CASP6 (0.65) CASP6CTDSP1NT5EAPEX1NSD2
SCHEMBL27141426 0.82 TIMP3 (0.65) CASP6CTDSP1NT5EAPEX1NSD2

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