SCHEMBL7709592

SCHEMBL7709592

O=C(CNC(=O)c1ccc(O)c(O)c1)NCCc1ccc(O)c(O)c1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
GAA P10253 1/20 0.80
ERCC1 P07992 1/20 0.61
ERCC4 Q92889 1/20 0.61
CA1 P00915 1/20 0.60
CA2 P00918 1/20 0.60
CA7 P43166 1/20 0.60
CA9 Q16790 1/20 0.60
CA14 Q9ULX7 1/20 0.60
PTGS2 P35354 1/20 0.60
JAK3 P52333 1/20 0.60
MAPT P10636 4/20 0.57
HSD17B10 Q99714 3/20 0.57
HPGD P15428 3/20 0.57
KDM4E B2RXH2 2/20 0.57
LMNA P02545 2/20 0.57
BLM P54132 2/20 0.57
HIF1A Q16665 2/20 0.57
ALDH1A1 P00352 2/20 0.57

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
SCHEMBL108112 0.90 CA1 (0.72) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL16417857 0.82 CA1 (0.69) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL7709781 0.81 MEN1 (0.56) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL7563980 0.81 MEN1 (0.55) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL109158 0.80 MAPT (0.73) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL107219 0.79 MAPT (0.71) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL109104 0.79 MAPT (0.68) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL2266963 0.79 MAPT (0.68) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL17899787 0.78 CA1 (0.69) MEN1KMT2AGAAERCC1ERCC4
SCHEMBL22773358 0.78 CA1 (0.69) MEN1KMT2AGAAERCC1ERCC4

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-6362165-B1 Hydroxyphenyl derivatives with HIV integrase inhibitory properties PHARMACOR INC. (CA) 2002-03-26 US disclosed