SCHEMBL9704097

SCHEMBL9704097

CCOC(=O)c1nc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]c1Br

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
HPGD P15428 1/20 0.43
L3MBTL1 Q9Y468 3/20 0.42
ATF1 P18846 1/20 0.42
NFKB1 P19838 1/20 0.42
MRGPRX4 Q96LA9 2/20 0.41
GABRP O00591 1/20 0.41
GABRD O14764 1/20 0.41
GABRA1 P14867 1/20 0.41
GABRB1 P18505 1/20 0.41
GABRG2 P18507 1/20 0.41
GABRB3 P28472 1/20 0.41
GABRA5 P31644 1/20 0.41
GABRA3 P34903 1/20 0.41
GABRA2 P47869 1/20 0.41
GABRB2 P47870 1/20 0.41
GABRA4 P48169 1/20 0.41
GABRE P78334 1/20 0.41
GABRA6 Q16445 1/20 0.41
GABRG1 Q8N1C3 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
SCHEMBL9704146 0.86 GABRP (0.46) ALDH1A1HPGDL3MBTL1ATF1NFKB1
SCHEMBL9221181 0.84 RECQL (0.41) ALDH1A1HPGDL3MBTL1ATF1NFKB1
SCHEMBL30453140 0.74 L3MBTL1 (0.60) ALDH1A1HPGDL3MBTL1MRGPRX4KMT2A
SCHEMBL709544 0.74 L3MBTL1 (0.60) ALDH1A1HPGDL3MBTL1MRGPRX4KMT2A
SCHEMBL9218751 0.73 NPBWR1 (0.39) ALDH1A1HPGDGABRPGABRDGABRA1
SCHEMBL9217228 0.73 GABRB3 (0.53) ALDH1A1HPGDL3MBTL1MRGPRX4GABRP
SCHEMBL9217797 0.72 NPBWR1 (0.38) ALDH1A1HPGDL3MBTL1ATF1NFKB1
SCHEMBL8493149 0.72 GABRP (0.56) ALDH1A1HPGDL3MBTL1ATF1NFKB1
Ethyl Acetate SCHEMBL9222251 0.71 ALDH1A1 (0.45) ALDH1A1HPGDL3MBTL1ATF1NFKB1
SCHEMBL9704101 0.70 NPBWR1 (0.38) ALDH1A1HPGDKMT2ALMNA

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-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed