SCHEMBL11764466

SCHEMBL11764466

Nc1cccc(C(=O)Nc2ccc3cc(S(=O)(=O)O)cc(S(=O)(=O)O)c3c2)c1.[Na].[Na]

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ENPP2 Q13822 4/20 0.61
▸ CASP6 P55212 1/20 0.54
▸ CTDSP1 Q9GZU7 1/20 0.54
▸ ULK1 O75385 1/20 0.52
▸ NT5E P21589 2/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ TIMP3 P35625 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ ALDH1A1 P00352 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ HSD17B10 Q99714 1/20 0.49
▸ TDP1 Q9NUW8 1/20 0.49
▸ MAOA P21397 1/20 0.48
▸ MAOB P27338 1/20 0.48
▸ CNR1 P21554 1/20 0.48
▸ PTGS1 P23219 2/20 0.48
▸ KAT6A Q92794 1/20 0.46
▸ HPSE Q9Y251 1/20 0.44
▸ SIRT2 Q8IXJ6 1/20 0.44

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
SCHEMBL11757461 0.93 CASP6 (0.60) ENPP2CASP6CTDSP1ULK1NT5E
SCHEMBL6559613 0.90 CASP6 (0.65) ENPP2CASP6CTDSP1ULK1NT5E
SCHEMBL11582870 0.89 CASP6 (0.64) ENPP2CASP6CTDSP1ULK1NT5E
SCHEMBL11441389 0.88 ULK1 (0.52) ENPP2CASP6CTDSP1ULK1NT5E
SCHEMBL14640094 0.87 NT5E (0.61) ENPP2CASP6CTDSP1NT5EMEN1
SCHEMBL14601340 0.87 TIMP3 (0.64) ENPP2NT5EMEN1KMT2ATIMP3
SCHEMBL11760372 0.87 TIMP3 (0.64) ENPP2NT5EMEN1KMT2ATIMP3
SCHEMBL10326996 0.87 ENPP2 (0.71) ENPP2CASP6CTDSP1NT5EMEN1
SCHEMBL11760343 0.86 TIMP3 (0.63) ENPP2NT5EMEN1KMT2ATIMP3
SCHEMBL11764462 0.85 SIRT1 (0.58) ENPP2ULK1MEN1KMT2AALDH1A1

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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