SCHEMBL9224699

SCHEMBL9224699

O=[N+]([O-])c1c[nH]c(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.43
TDP1 Q9NUW8 3/20 0.43
HPGD P15428 2/20 0.43
CYP3A4 P08684 2/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
HIF1A Q16665 1/20 0.43
TXNRD1 Q16881 1/20 0.43
TXNRD3 Q86VQ6 1/20 0.43
TXNRD2 Q9NNW7 1/20 0.43
FGFR4 P22455 1/20 0.37
MAPT P10636 7/20 0.36
NPBWR1 P48145 4/20 0.36
NPSR1 Q6W5P4 2/20 0.35
SMN1; SMN2 Q16637 4/20 0.33
TNF P01375 1/20 0.33
LMNA P02545 1/20 0.33
HSPA1A P0DMV8 1/20 0.33
HTT P42858 1/20 0.33
NOD1 Q9Y239 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
SCHEMBL9209959 0.79 FGFR4 (0.35) ALDH1A1TDP1HPGDCYP3A4ALOX15
SCHEMBL9222293 0.76 NPBWR1 (0.37) ALDH1A1TDP1MAPTNPBWR1SMN1; SMN2
SCHEMBL9217796 0.75 NPBWR1 (0.36) ALDH1A1TDP1NPBWR1SMN1; SMN2CBFB
SCHEMBL9217719 0.75 NPBWR1 (0.36) ALDH1A1HPGDNPBWR1SMN1; SMN2NPC1
SCHEMBL9217849 0.74 ALDH1A1 (0.42) ALDH1A1TDP1HPGDCYP3A4ALOX15
SCHEMBL9222300 0.73 ALDH1A1 (0.41) ALDH1A1TDP1HPGDCYP3A4ALOX15
SCHEMBL9222229 0.73 ALDH1A1 (0.41) ALDH1A1TDP1HPGDCYP3A4ALOX15
SCHEMBL28920099 0.73 ALDH1A1 (0.33) ALDH1A1TDP1CYP3A4MAPTNPBWR1
SCHEMBL10774797 0.70 TDP1 (0.51) ALDH1A1TDP1HPGDCYP3A4ALOX15
SCHEMBL10108156 0.69 MAPT (0.38) ALDH1A1TDP1HPGDCYP3A4ALOX15

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