SCHEMBL7129266

SCHEMBL7129266

CC(=O)CC(=O)Nc1cccc(P(=O)(O)O)c1.Nc1cc(S(=O)(=O)O)cc(S(=O)(=O)O)c1O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.41
CA2 P00918 3/20 0.41
ALDH1A1 P00352 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
CA4 P22748 1/20 0.41
CA7 P43166 1/20 0.41
MAPT P10636 2/20 0.38
NT5E P21589 1/20 0.37
CASP6 P55212 1/20 0.36
CTDSP1 Q9GZU7 1/20 0.36
ENPP2 Q13822 2/20 0.36
USP2 O75604 2/20 0.36
TIMP3 P35625 2/20 0.36
RECQL P46063 2/20 0.36
HSD17B10 Q99714 2/20 0.36

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
SCHEMBL7129267 0.83 CA1 (0.39) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL7894991 0.82 CA1 (0.40) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL8209236 0.80 MEN1 (0.60) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL11421792 0.74 MAPT (0.50) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL11410696 0.73 KDM4E (0.56) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL11410423 0.73 KDM4E (0.52) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL7646766 0.73 CA1 (0.54) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL6024109 0.73 CA1 (0.54) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL5705537 0.72 CA1 (0.57) CA1CA2ALDH1A1MEN1KMT2A
SCHEMBL10795626 0.70 NT5E (0.68) CA1CA2ALDH1A1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0986615-B1 1:2 CHROMIUM COMPLEX DYES, THEIR PRODUCTION AND USE CLARIANT FINANCE BVI LTD (VG) 2003-01-22 EP disclosed
EP-0988343-B1 PROCESS FOR THE DYEING OF ALUMINIUM OXIDE LAYERS CLARIANT FINANCE BVI LTD (VG) 2002-04-03 EP disclosed
US-6309427-B1 DYEING OXIDE LAYERS PRODUCED ARTIFICIALLY ON ALUMINIUM OR ALUMINIUM ALLOYS BY APPLYING A DYE COMPRISING CHROMIUM COMPLEX DYE CLARIANT FINANCE (BVI) LIMITED (VG) 2001-10-30 US disclosed
US-6210448-B1 REACTING AN SUBSTITUTED AROMATIC AZO COMPOUND WHICH CAN BE METALLIZED WITH A CHROMIUM DONAR TO FORM A COMPLEX METALLIZED DYE CLARIANT FINANCE (BVI) LIMITED (VG) 2001-04-03 US disclosed