SCHEMBL9217849

SCHEMBL9217849

O=[N+]([O-])c1[nH]c(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
CYP3A4 P08684 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
ALOX15 P16050 1/20 0.42
TSHR P16473 1/20 0.42
HIF1A Q16665 1/20 0.42
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
MAPT P10636 7/20 0.37
NPSR1 Q6W5P4 2/20 0.37
NPBWR1 P48145 4/20 0.37
FGFR4 P22455 1/20 0.36
CBFB Q13951 1/20 0.33
SMN1; SMN2 Q16637 3/20 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

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
SCHEMBL9222229 0.85 ALDH1A1 (0.41) ALDH1A1HPGDCYP3A4TDP1ALOX15
SCHEMBL9222300 0.85 ALDH1A1 (0.41) ALDH1A1HPGDCYP3A4TDP1ALOX15
SCHEMBL9217797 0.76 NPBWR1 (0.38) ALDH1A1HPGDCYP3A4TDP1TSHR
SCHEMBL9224699 0.74 ALDH1A1 (0.43) ALDH1A1HPGDCYP3A4TDP1ALOX15
SCHEMBL28007290 0.71 MAPT (0.44) ALDH1A1MAPTNPSR1SMN1; SMN2GAA
SCHEMBL9218751 0.68 NPBWR1 (0.39) ALDH1A1HPGDCYP3A4TSHRHIF1A
SCHEMBL9223795 0.68 NPBWR1 (0.39) NPSR1NPBWR1CBFBCDK4CCND1
SCHEMBL9215480 0.68 ALDH1A1 (0.38) ALDH1A1HPGDMAPTNPBWR1HTT
SCHEMBL16123430 0.68 CBFB (0.38) ALDH1A1HPGDCYP3A4TSHRHIF1A
SCHEMBL16174996 0.67 TSHR (0.60) ALDH1A1HPGDCYP3A4TDP1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5380865-A Halogen substituents MAY & BAKER LIMITED (GB) 1995-01-10 US claimed
US-5380865-A Halogen substituents MAY & BAKER LIMITED (GB) 1995-01-10 US disclosed
CN-1024887-C 2-phenylimidazole derivative-containing pesticide MAY & BAKER LTD (GB) 1994-06-08 CN disclosed
US-5206257-A Controlling plant nematodes, helminth, protozoa MAY & BAKER LIMITED (GB) 1993-04-27 US disclosed
CN-1030577-A Disinsection method with 2-phenylimidazole derivative MAY & BAKER CO LTD (GB) 1989-01-25 CN disclosed
EP-0283173-A1 Pesticidal method using 2-phenylimidazole derivatives RHONE-POULENC AGRICULTURE LIMITED (GB) 1988-09-21 EP disclosed