SCHEMBL11439331

SCHEMBL11439331

Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(O)ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CASP6 P55212 3/20 0.50
▸ CTDSP1 Q9GZU7 1/20 0.50
▸ APEX1 P27695 1/20 0.50
▸ HSD17B10 Q99714 3/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NPSR1 Q6W5P4 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
▸ KAT6A Q92794 1/20 0.46
▸ HDAC1 Q13547 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.43
▸ KDM4C Q9H3R0 1/20 0.43
▸ KDM4E B2RXH2 1/20 0.43
▸ MEN1 O00255 3/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ TDP1 Q9NUW8 3/20 0.41
▸ USP2 O75604 1/20 0.41

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
SCHEMBL11763835 0.92 APEX1 (0.53) CASP6CTDSP1APEX1HSD17B10SMN1; SMN2
SCHEMBL11426066 0.91 APEX1 (0.50) CASP6CTDSP1APEX1HSD17B10SMN1; SMN2
SCHEMBL11434078 0.91 CASP6 (0.50) CASP6CTDSP1APEX1HSD17B10SMN1; SMN2
SCHEMBL11426265 0.87 CASP6 (0.65) CASP6CTDSP1APEX1HSD17B10SMN1; SMN2
SCHEMBL10905485 0.85 MEN1 (0.50) CASP6CTDSP1APEX1HSD17B10NSD2
SCHEMBL11340257 0.85 TIMP3 (0.58) CASP6CTDSP1APEX1HSD17B10NSD2
SCHEMBL11430180 0.83 RAB9A (0.54) CTDSP1APEX1SMN1; SMN2DUSP3PTPN5
SCHEMBL11427527 0.82 CASP6 (0.48) CASP6CTDSP1APEX1HSD17B10SMN1; SMN2
SCHEMBL11433965 0.82 CASP6 (0.48) CASP6CTDSP1APEX1HSD17B10NSD2
SCHEMBL5567709 0.81 APEX1 (0.76) CASP6CTDSP1APEX1HSD17B10SMN1; SMN2

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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