SCHEMBL11426066

SCHEMBL11426066

Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3ccc(O)cc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.50
▸ KAT6A Q92794 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 1/20 0.47
▸ NT5E P21589 2/20 0.46
▸ TRPV1 Q8NER1 2/20 0.46
▸ CASP6 P55212 3/20 0.45
▸ CTDSP1 Q9GZU7 1/20 0.45
▸ HDAC1 Q13547 1/20 0.45
▸ ALDH1A1 P00352 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TDP1 Q9NUW8 2/20 0.43
▸ USP2 O75604 1/20 0.43
▸ TIMP3 P35625 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MAPT P10636 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
SCHEMBL11439331 0.91 CASP6 (0.50) APEX1KAT6AHSD17B10SMN1; SMN2NPSR1
SCHEMBL11427680 0.87 CASP6 (0.59) APEX1KAT6AHSD17B10SMN1; SMN2NT5E
SCHEMBL10908211 0.85 MEN1 (0.53) APEX1HSD17B10NT5ETRPV1CASP6
SCHEMBL11337363 0.85 TIMP3 (0.61) APEX1HSD17B10TRPV1ALDH1A1MEN1
SCHEMBL11763835 0.85 APEX1 (0.53) APEX1KAT6AHSD17B10SMN1; SMN2NPSR1
SCHEMBL11433027 0.83 KAT6A (0.46) KAT6AHSD17B10SMN1; SMN2NPSR1CASP6
SCHEMBL11431303 0.83 RAB9A (0.54) APEX1SMN1; SMN2TRPV1CTDSP1ALDH1A1
SCHEMBL11426058 0.82 CASP6 (0.43) APEX1HSD17B10NT5ETRPV1CASP6
SCHEMBL11426646 0.82 CASP6 (0.43) APEX1HSD17B10NT5ETRPV1CASP6
SCHEMBL11434078 0.82 CASP6 (0.50) APEX1KAT6AHSD17B10SMN1; SMN2NPSR1

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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