SCHEMBL14775703

SCHEMBL14775703

O=C(Nc1ccc2cccnc2c1O)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.72
EGLN1 Q9GZT9 4/20 0.59
SLC2A1 P11166 1/20 0.58
MMP2 P08253 2/20 0.58
HDAC6 Q9UBN7 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
GAA P10253 1/20 0.56
HTT P42858 1/20 0.56
ALDH1A1 P00352 3/20 0.55
MEN1 O00255 2/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
KMT2A Q03164 2/20 0.55
NPSR1 Q6W5P4 1/20 0.55
TP53 P04637 1/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL6260903 0.84 KDR (1.00) KDRHDAC6L3MBTL1TDP1GAA
SCHEMBL29434873 0.84 KDR (1.00) KDRHDAC6L3MBTL1TDP1GAA
SCHEMBL14775826 0.82 SMN1; SMN2 (0.72) EGLN1MMP2HDAC6L3MBTL1TDP1
SCHEMBL8342736 0.81 MMP2 (0.55) EGLN1MMP2L3MBTL1TDP1HTT
SCHEMBL2108832 0.79 MEN1 (0.57) KDREGLN1MMP2L3MBTL1TDP1
SCHEMBL9755469 0.78 KDR (0.65) KDREGLN1SLC2A1HDAC6L3MBTL1
SCHEMBL2112798 0.78 EGLN1 (0.53) EGLN1SLC2A1MMP2L3MBTL1TDP1
SCHEMBL14775947 0.78 EGLN1 (0.67) EGLN1MMP2HDAC6ALDH1A1MEN1
SCHEMBL9400456 0.77 NPC1 (0.68) KDRTDP1GAAALDH1A1MEN1
SCHEMBL28434027 0.77 KDR (0.63) KDRMMP2HDAC6L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP claimed
EP-1963272-B1 HYDROXYQUINOLINE DERIVATIVES MERCK PATENT GMBH (DE) 2013-03-20 EP disclosed