SCHEMBL8296378

SCHEMBL8296378

O=C(Nc1cnc(C(F)(F)F)nc1)Oc1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.51
MAPT P10636 3/20 0.51
RAD51 Q06609 1/20 0.50
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 2/20 0.48
THRB P10828 1/20 0.48
GFER P55789 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
GAA P10253 2/20 0.48
HTT P42858 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
FAAH O00519 6/20 0.45
CCNE1 P24864 1/20 0.45
CDK2 P24941 1/20 0.45
CDK5 Q00535 1/20 0.45

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
SCHEMBL30782657 0.83 ALDH1A1 (0.52) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL15925956 0.83 ALDH1A1 (0.52) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL24756051 0.80 ALDH1A1 (0.55) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL24757867 0.80 ALDH1A1 (0.59) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL24756022 0.80 ALDH1A1 (0.55) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL897147 0.79 ALDH1A1 (0.54) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL31728525 0.78 ALDH1A1 (0.56) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL15890256 0.78 ALDH1A1 (0.60) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL1010493 0.78 ALDH1A1 (0.56) ALDH1A1MAPTRAD51KMT2AMEN1
SCHEMBL896599 0.78 ALDH1A1 (0.56) ALDH1A1MAPTRAD51KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508469-B1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1999-03-03 EP disclosed
US-5493024-A 1,2-DIARYL-2-PROPEN-1-ONE CHEMICAL INTERMEDIATE COMPOUND DOWELANCO (US) 1996-02-20 US disclosed
US-5250532-A Moths. termites DOWELANCO (US) 1993-10-05 US disclosed
CN-1067426-A 3,4, N-three replaces-4,5-dihydro-1 h-pyrazole-1-methane amide and they application as sterilant DOWELANCO (US) 1992-12-30 CN disclosed
EP-0508469-A1 3,4,N-Trisubstituted-4,5-dihydro-1H-pyrazole-1-carboxamides and their use as insecticides DOWELANCO (US) 1992-10-14 EP disclosed