SCHEMBL7965237

SCHEMBL7965237

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

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.55
KMT2A Q03164 5/20 0.50
MEN1 O00255 4/20 0.50
POLB P06746 1/20 0.50
GSK3B P49841 1/20 0.47
MAPT P10636 4/20 0.46
ALDH1A1 P00352 2/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 1/20 0.46
PGR P06401 1/20 0.44
AR P10275 1/20 0.44
HTT P42858 2/20 0.44
PKM P14618 1/20 0.44
HPGD P15428 1/20 0.44
ALOX12 P18054 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 2/20 0.44

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
SCHEMBL7976858 0.94 L3MBTL1 (0.61) L3MBTL1KMT2AMEN1POLBGSK3B
SCHEMBL7978680 0.88 L3MBTL1 (0.73) L3MBTL1KMT2AMEN1POLBGSK3B
SCHEMBL7981607 0.88 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL7976975 0.82 L3MBTL1 (0.55) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL12309829 0.80 MAPT (0.49) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL7978822 0.79 L3MBTL1 (0.54) L3MBTL1KMT2AMEN1POLBMAPT
SCHEMBL11090178 0.77 ALDH1A1 (0.49) KMT2AMEN1POLBMAPTALDH1A1
SCHEMBL7976868 0.76 KMT2A (0.47) L3MBTL1KMT2AMEN1MAPTALDH1A1
SCHEMBL9503768 0.74 L3MBTL1 (0.68) L3MBTL1KMT2AMEN1GSK3BMAPT
SCHEMBL7978676 0.74 ALDH1A1 (0.52) L3MBTL1KMT2APOLBMAPTALDH1A1

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