SCHEMBL11763835

SCHEMBL11763835

Nc1cccc(C(=O)Nc2cc(S(=O)(=O)O)cc3cc(S(=O)(=O)O)ccc23)c1.[Na].[Na]

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ APEX1 P27695 1/20 0.53
▸ CASP6 P55212 4/20 0.53
▸ CTDSP1 Q9GZU7 1/20 0.53
▸ HSD17B10 Q99714 4/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ NSD2 O96028 1/20 0.49
▸ DUSP3 P51452 1/20 0.49
▸ PTPN5 P54829 1/20 0.49
▸ PTPN11 Q06124 1/20 0.49
▸ KAT6A Q92794 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ TDP1 Q9NUW8 2/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KDM4C Q9H3R0 1/20 0.46
▸ MEN1 O00255 2/20 0.45
▸ KMT2A Q03164 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ HDAC1 Q13547 1/20 0.44
▸ USP2 O75604 1/20 0.43

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 0.92 CASP6 (0.50) APEX1CASP6CTDSP1HSD17B10SMN1; SMN2
SCHEMBL11434078 0.92 CASP6 (0.50) APEX1CASP6CTDSP1HSD17B10SMN1; SMN2
SCHEMBL11597730 0.89 CASP6 (0.56) APEX1CASP6CTDSP1HSD17B10NSD2
SCHEMBL11763828 0.87 FGF1 (0.55) APEX1HSD17B10SMN1; SMN2NPSR1KAT6A
SCHEMBL17115743 0.86 APEX1 (0.70) APEX1CASP6CTDSP1HSD17B10NSD2
SCHEMBL11426066 0.85 APEX1 (0.50) APEX1CASP6CTDSP1HSD17B10SMN1; SMN2
SCHEMBL11433757 0.85 HSD17B10 (0.50) APEX1CASP6CTDSP1HSD17B10SMN1; SMN2
SCHEMBL11761158 0.84 TIMP3 (0.61) APEX1CASP6CTDSP1HSD17B10NSD2
SCHEMBL5567709 0.84 APEX1 (0.76) APEX1CASP6CTDSP1HSD17B10SMN1; SMN2
SCHEMBL6560617 0.83 CASP6 (0.77) APEX1CASP6CTDSP1HSD17B10NSD2

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-4027038-A NAPHTHALENEDISULFONIC ACID UREIDES AMERICAN CYANAMID COMPANY (US) 1977-05-31 — — US disclosed
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