SCHEMBL7976868

SCHEMBL7976868

COC(=O)C(CC(=O)c1ccccc1Cl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
GAA P10253 1/20 0.47
MAPK1 P28482 1/20 0.47
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
RORC P51449 2/20 0.42
MEN1 O00255 4/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7978676 0.86 ALDH1A1 (0.52) KMT2AL3MBTL1GAAMAPK1ALDH1A1
SCHEMBL7981607 0.83 L3MBTL1 (0.54) KMT2AL3MBTL1GAALMNAALDH1A1
SCHEMBL7976858 0.81 L3MBTL1 (0.61) KMT2AL3MBTL1GAAMAPK1LMNA
SCHEMBL7978680 0.81 L3MBTL1 (0.73) KMT2AL3MBTL1GAALMNAALDH1A1
SCHEMBL7976975 0.81 L3MBTL1 (0.55) KMT2AL3MBTL1GAALMNAALDH1A1
SCHEMBL7978822 0.80 L3MBTL1 (0.54) KMT2AL3MBTL1LMNAALDH1A1MAPT
SCHEMBL12309829 0.79 MAPT (0.49) KMT2AL3MBTL1GAALMNAALDH1A1
SCHEMBL7965237 0.76 L3MBTL1 (0.55) KMT2AL3MBTL1GAALMNAALDH1A1
SCHEMBL11090178 0.76 ALDH1A1 (0.49) KMT2AGAALMNAALDH1A1MAPT
SCHEMBL7978818 0.74 ALDH1A1 (0.51) KMT2AL3MBTL1GAAMAPK1LMNA

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-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO claimed
WO-2001060781-A2 DIPHENYL COMPOUNDS, FORMULATIONS AND USES THEREOF UNIVERSITY COLLEGE CARDIFF CONSULTANTS LIMITED (GB) 2001-08-23 WO disclosed