SCHEMBL11572863

SCHEMBL11572863

O=C(CC(=O)c1ccc(C(=O)CC(=O)Nc2ccccc2)cc1)Nc1ccccc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.71
KMT2A Q03164 6/20 0.71
NPC1 O15118 5/20 0.71
L3MBTL1 Q9Y468 2/20 0.65
ALDH1A1 P00352 2/20 0.65
MEN1 O00255 4/20 0.60
MAPT P10636 3/20 0.58
SMN1; SMN2 Q16637 2/20 0.58
HPGD P15428 2/20 0.58
KDM4E B2RXH2 1/20 0.58
CYP3A4 P08684 1/20 0.58
ALOX15 P16050 1/20 0.58
CES1 P23141 1/20 0.58
MAPK1 P28482 1/20 0.58
TDP1 Q9NUW8 1/20 0.58
EPHX2 P34913 1/20 0.57
KDM1A O60341 1/20 0.56
TP53 P04637 1/20 0.54
HTT P42858 1/20 0.53
HDAC3 O15379 1/20 0.53

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
SCHEMBL1098345 0.96 RAB9A (0.77) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL14890950 0.94 RAB9A (0.74) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL9508626 0.93 KMT2A (0.63) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL11795069 0.93 RAB9A (0.68) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL11782142 0.92 KMT2A (0.83) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL5207119 0.91 KMT2A (0.61) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL8987230 0.91 KMT2A (0.63) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL7696576 0.91 KMT2A (0.68) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL11135996 0.91 KMT2A (0.71) RAB9AKMT2ANPC1L3MBTL1ALDH1A1
SCHEMBL8987227 0.91 KMT2A (0.87) RAB9AKMT2ANPC1L3MBTL1ALDH1A1

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
JP-54066929-A None JP disclosed
JP-S5466929-A DISAZO COMPOUND, ITS PRODUCTION AND ITS YELLOW PIGMENT NIPPON CHEM IND CO LTD:THE 1979-05-29 JP disclosed