SCHEMBL8581237

SCHEMBL8581237

O=C(CC(=O)Nc1ccccc1)CC(=O)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.65
KMT2A Q03164 5/20 0.65
NPC1 O15118 5/20 0.65
ALDH1A1 P00352 2/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
MEN1 O00255 4/20 0.57
SMN1; SMN2 Q16637 3/20 0.57
MAPT P10636 2/20 0.57
HPGD P15428 2/20 0.57
KDM4E B2RXH2 1/20 0.57
CYP3A4 P08684 1/20 0.57
ALOX15 P16050 1/20 0.57
CES1 P23141 1/20 0.57
MAPK1 P28482 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
EPHX2 P34913 1/20 0.52
KDM1A O60341 1/20 0.51
GAA P10253 1/20 0.51
PTPN1 P18031 1/20 0.50
ERCC5 P28715 1/20 0.50

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 0.90 RAB9A (0.77) RAB9AKMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL14890950 0.89 RAB9A (0.74) RAB9AKMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL27538195 0.88 EPHX2 (0.63) KMT2AL3MBTL1MEN1SMN1; SMN2MAPT
SCHEMBL11572863 0.86 RAB9A (0.71) RAB9AKMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL11782142 0.86 KMT2A (0.83) RAB9AKMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL1977011 0.84 KMT2A (0.80) RAB9AKMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL11795069 0.84 RAB9A (0.68) RAB9AKMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL9001575 0.82 EPHX2 (0.57) KMT2AL3MBTL1MEN1SMN1; SMN2MAPT
SCHEMBL10705364 0.82 MAPT (0.70) RAB9AKMT2ANPC1ALDH1A1L3MBTL1
SCHEMBL10888944 0.82 KMT2A (0.76) RAB9AKMT2ANPC1ALDH1A1L3MBTL1

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
WO-1998022822-A9 PHOTOGRAPHIC COLOR COUPLERS USED AS CYTOCHEMICAL CONTRAST MARKERS 1998-09-11 WO disclosed
WO-1998022822-A1 PHOTOGRAPHIC COLOR COUPLERS USED AS CYTOCHEMICAL CONTRAST MARKERS APPLIED IMAGING CORPORATION (US) 1998-05-28 WO disclosed