SCHEMBL9704767

SCHEMBL9704767

O=CC=NN(Cl)c1ccc(C(F)(F)F)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.37
CHRNA7 P36544 1/20 0.34
PDK2 Q15119 2/20 0.34
MCL1 Q07820 3/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NR1H3 Q13133 1/20 0.32
GAA P10253 1/20 0.32
ADRA2A P08913 1/20 0.32
MAPT P10636 2/20 0.32
CES2 O00748 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL9768338 0.84 PDE2A (0.38) PDE2APDK2ALDH1A1CYP1A2CYP3A4
SCHEMBL5744940 0.75 MRGPRX4 (0.37) PDE2APDK2ALDH1A1
SCHEMBL9704905 0.73 MAPT (0.39) PDE2AALDH1A1MEN1KMT2AGAA
SCHEMBL1768930 0.69 PDE2A (0.49) PDE2APDK2ALDH1A1KMT2ANR1H3
SCHEMBL10437726 0.68 MAPT (0.37) PDE2APDK2ALDH1A1CYP1A2CYP3A4
SCHEMBL6258555 0.68 PDE2A (0.39) PDE2APDK2ALDH1A1NR1H3GAA
SCHEMBL952008 0.65 TDP1 (0.55) PDE2AMCL1ALDH1A1MEN1KMT2A
SCHEMBL5743667 0.65 ALDH1A1 (0.34) PDE2APDK2ALDH1A1NR1H3GAA
SCHEMBL8346846 0.65 PDK2 (0.51) PDE2APDK2NR1H3GAAMAPT
SCHEMBL12402929 0.64 PDE2A (0.40) PDE2AALDH1A1MEN1KMT2AMAPT

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
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed
EP-0350237-A2 Triazole insecticides SCHERING AGROCHEMICALS LIMITED (GB) 1990-01-10 EP disclosed