SCHEMBL9220531

SCHEMBL9220531

N#Cc1[nH]c(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 3/20 0.36
ALDH1A1 P00352 4/20 0.35
GAA P10253 3/20 0.34
PARP1 P09874 2/20 0.34
RAB9A P51151 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.33
RPS6KA3 P51812 1/20 0.33
JAK3 P52333 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL9215040 0.89 PIN1 (0.39) NPBWR1ALDH1A1GAAHPGDGABRP
SCHEMBL9221181 0.83 RECQL (0.41) ALDH1A1HPGDHTTSMN1; SMN2GABRP
SCHEMBL9215480 0.82 ALDH1A1 (0.38) NPBWR1ALDH1A1GAAPARP1RAB9A
SCHEMBL9215555 0.79 NPBWR1 (0.38) NPBWR1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL10694101 0.79 PARP1 (0.54) PARP1RAB9A
SCHEMBL9218118 0.78 NPBWR1 (0.37) NPBWR1ALDH1A1GAAHTTSMN1; SMN2
SCHEMBL9705004 0.77 GABRB3 (0.46) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL10697405 0.73 CHEK2 (0.43) PARP1
SCHEMBL10697288 0.72 MEN1 (0.48) NPBWR1GAAPARP1HPGDRPS6KA3
SCHEMBL10695586 0.72 PARP1 (0.57) PARP1

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