SCHEMBL6670716

SCHEMBL6670716

CN(Cc1ccc(Cl)cc1)C(=O)c1c[nH]c2ccc(CNCCCO)cc2c1=O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
MAPT P10636 2/20 0.47
POLB P06746 3/20 0.46
GAA P10253 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
GLA P06280 1/20 0.45
HPGD P15428 1/20 0.45
THRB P10828 1/20 0.44
ALOX12 P18054 1/20 0.41
HTT P42858 1/20 0.41
GABRA1 P14867 3/20 0.41
GABRB2 P47870 3/20 0.41
NHERF1 O14745 1/20 0.40
MEN1 O00255 1/20 0.39
GABRP O00591 1/20 0.39
GABRD O14764 1/20 0.39
GABRB1 P18505 1/20 0.39
GABRG2 P18507 1/20 0.39

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
SCHEMBL7834749 0.88 GAA (0.48) TP53MAPTPOLBGAATDP1
SCHEMBL7845846 0.85 GAA (0.51) TP53MAPTPOLBGAATDP1
SCHEMBL6671873 0.84 TP53 (0.48) TP53MAPTPOLBGAATDP1
SCHEMBL7834064 0.83 GAA (0.51) TP53MAPTPOLBGAATDP1
SCHEMBL7843626 0.83 GAA (0.47) TP53MAPTPOLBGAATDP1
SCHEMBL7847575 0.80 TP53 (0.53) TP53MAPTPOLBGAATDP1
SCHEMBL7843694 0.79 GAA (0.46) TP53MAPTPOLBGAATDP1
SCHEMBL6669804 0.79 GABRP (0.47) TP53MAPTPOLBGAATDP1
SCHEMBL7841900 0.77 TP53 (0.46) TP53MAPTPOLBGAATDP1
SCHEMBL6668634 0.77 TP53 (0.46) TP53MAPTPOLBGAATDP1

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-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed
WO-2004019932-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO disclosed