SCHEMBL9215480

SCHEMBL9215480

NC(=O)c1nc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]c1C(N)=O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
NPBWR1 P48145 3/20 0.37
GAA P10253 2/20 0.36
SLC9A1 P19634 1/20 0.34
PARP1 P09874 1/20 0.34
ATF1 P18846 1/20 0.34
NFKB1 P19838 1/20 0.34
EGLN1 Q9GZT9 1/20 0.34
HPGD P15428 2/20 0.34
PLAU P00749 1/20 0.34
IKBKB O14920 1/20 0.34
GLA P06280 1/20 0.34
HTT P42858 2/20 0.34
PIN1 Q13526 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL9220531 0.82 NPBWR1 (0.36) ALDH1A1NPBWR1GAAPARP1ATF1
SCHEMBL9215040 0.73 PIN1 (0.39) ALDH1A1NPBWR1GAAEGLN1HPGD
SCHEMBL9704146 0.72 GABRP (0.46) ALDH1A1ATF1NFKB1HPGDMAPT
SCHEMBL7776908 0.71 ALDH1A1 (0.40) ALDH1A1GAAHPGDPLAUIKBKB
SCHEMBL9704097 0.69 ALDH1A1 (0.44) ALDH1A1ATF1NFKB1HPGDHTT
SCHEMBL9218751 0.68 NPBWR1 (0.39) ALDH1A1NPBWR1HPGDHTTRAB9A
SCHEMBL9223795 0.68 NPBWR1 (0.39) NPBWR1IKBKBPIN1
SCHEMBL9221181 0.68 RECQL (0.41) ALDH1A1ATF1NFKB1HPGDHTT
SCHEMBL23079059 0.68 PARP1 (0.44) ALDH1A1GAAPARP1HPGDIKBKB
SCHEMBL9217849 0.68 ALDH1A1 (0.42) ALDH1A1NPBWR1GAAHPGDHTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380865-A Halogen substituents MAY & BAKER LIMITED (GB) 1995-01-10 US disclosed
US-5206257-A Controlling plant nematodes, helminth, protozoa MAY & BAKER LIMITED (GB) 1993-04-27 US disclosed
EP-0283173-A1 Pesticidal method using 2-phenylimidazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-09-21 EP disclosed