SCHEMBL7975449

SCHEMBL7975449

COC(=O)C(CC(=O)Nc1ccc(Cl)cc1Cl)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
ALDH1A1 P00352 5/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 5/20 0.50
SMN1; SMN2 Q16637 3/20 0.48
HPGD P15428 2/20 0.48
USP2 O75604 1/20 0.48
PKM P14618 2/20 0.46
NPC1 O15118 2/20 0.46
TP53 P04637 2/20 0.46
CYP2C9 P11712 2/20 0.46
AURKA O14965 1/20 0.46
PDPK1 O15530 1/20 0.46
JAK2 O60674 1/20 0.46
GMNN O75496 1/20 0.46
EGFR P00533 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
LYN P07948 1/20 0.46
CHRM2 P08172 1/20 0.46

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 0.83 ALDH1A1 (0.52) MAPTALDH1A1KMT2APKMMAPK1
SCHEMBL7978818 0.79 ALDH1A1 (0.51) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7978610 0.78 ALDH1A1 (0.45) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7978680 0.78 L3MBTL1 (0.73) MAPTALDH1A1KMT2AMEN1CYP2C9
SCHEMBL7978822 0.76 L3MBTL1 (0.54) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL12309829 0.75 MAPT (0.49) MAPTALDH1A1KMT2AMEN1NPC1
SCHEMBL7976975 0.75 L3MBTL1 (0.55) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL7976868 0.73 KMT2A (0.47) MAPTALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL7976858 0.73 L3MBTL1 (0.61) MAPTALDH1A1KMT2AMEN1USP2
SCHEMBL30023041 0.72 HPGD (0.59) MAPTALDH1A1KMT2AMEN1SMN1; SMN2

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 1 patent. 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 disclosed