SCHEMBL9768338

SCHEMBL9768338

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 4/20 0.38
MAPT P10636 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PDK2 Q15119 2/20 0.33
KDM4E B2RXH2 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C19 P33261 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
NR1H3 Q13133 3/20 0.32
NR1H2 P55055 2/20 0.32
GAA P10253 2/20 0.32
CES2 O00748 1/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31

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
SCHEMBL9704767 0.84 PDE2A (0.37) PDE2AMAPTALDH1A1PDK2KDM4E
SCHEMBL9704905 0.77 MAPT (0.39) PDE2AMAPTALDH1A1GAA
SCHEMBL5744940 0.74 MRGPRX4 (0.37) PDE2AALDH1A1PDK2MRGPRX4
SCHEMBL6258555 0.69 PDE2A (0.39) PDE2AMAPTALDH1A1PDK2NR1H3
SCHEMBL1768930 0.68 PDE2A (0.49) PDE2AMAPTALDH1A1PDK2KDM4E
SCHEMBL13707569 0.67 PDE2A (0.45) PDE2AMAPTALDH1A1KDM4ECYP1A2
SCHEMBL4373756 0.67 PDE2A (0.45) PDE2AMAPTALDH1A1KDM4ECYP1A2
SCHEMBL4373753 0.67 PDE2A (0.45) PDE2AMAPTALDH1A1KDM4ECYP1A2
SCHEMBL5743667 0.67 ALDH1A1 (0.34) PDE2AMAPTALDH1A1PDK2KDM4E
SCHEMBL10437726 0.67 MAPT (0.37) PDE2AMAPTALDH1A1PDK2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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