SCHEMBL9704101

SCHEMBL9704101

O=Cc1nc(-c2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]c1Br

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPBWR1 P48145 4/20 0.38
CBFB Q13951 1/20 0.36
EGLN1 Q9GZT9 1/20 0.33
PTGES O14684 1/20 0.32
ALDH1A1 P00352 2/20 0.30
HPGD P15428 2/20 0.30
CYP3A4 P08684 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
HIF1A Q16665 1/20 0.30
TXNRD1 Q16881 1/20 0.30
TXNRD3 Q86VQ6 1/20 0.30
TXNRD2 Q9NNW7 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
CDK4 P11802 1/20 0.30
CCND1 P24385 1/20 0.30

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
SCHEMBL9218751 0.81 NPBWR1 (0.39) NPBWR1CBFBPTGESALDH1A1HPGD
SCHEMBL9217797 0.80 NPBWR1 (0.38) NPBWR1CBFBEGLN1PTGESALDH1A1
SCHEMBL9704097 0.70 ALDH1A1 (0.44) ALDH1A1HPGDLMNAKMT2A
SCHEMBL9222229 0.70 ALDH1A1 (0.41) NPBWR1CBFBEGLN1ALDH1A1HPGD
SCHEMBL9218118 0.69 NPBWR1 (0.37) NPBWR1CBFBPTGESALDH1A1CYP3A4
SCHEMBL9217796 0.69 NPBWR1 (0.36) NPBWR1CBFBALDH1A1TDP1
SCHEMBL9223795 0.69 NPBWR1 (0.39) NPBWR1CBFBCDK4CCND1
SCHEMBL16121159 0.69 CACNA1H (0.54) NPBWR1CBFBEGLN1
SCHEMBL11244118 0.68 CBFB (0.34) NPBWR1CBFBPTGES
SCHEMBL12353892 0.67 CBFB (0.50) CBFBEGLN1

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