SCHEMBL9703422

SCHEMBL9703422

N#Cc1nc(C(N)=NN(Cl)c2ccc(C(F)(F)F)cc2Cl)[nH]c1C#N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 4/20 0.34
CTSS P25774 1/20 0.31
CTSK P43235 1/20 0.31
DGAT1 O75907 1/20 0.31
SOAT1 P35610 1/20 0.31
KCNH2 Q12809 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 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
SCHEMBL9704423 0.89 MRGPRX4 (0.33) MRGPRX4CTSSCTSKDGAT1SOAT1
SCHEMBL9703425 0.75 SMN1; SMN2 (0.33) MRGPRX4ALDH1A1HTTSMN1; SMN2
SCHEMBL9703419 0.75 SMN1; SMN2 (0.33) MRGPRX4ALDH1A1HTTSMN1; SMN2
SCHEMBL6258555 0.70 PDE2A (0.39) MRGPRX4ALDH1A1HTTSMN1; SMN2
SCHEMBL5743667 0.69 ALDH1A1 (0.34) MRGPRX4ALDH1A1HTTSMN1; SMN2
SCHEMBL9220607 0.69 CTSS (0.40) MRGPRX4CTSSCTSKDGAT1SOAT1
SCHEMBL9704419 0.68 SMN1; SMN2 (0.32) ALDH1A1HTTSMN1; SMN2
SCHEMBL9704426 0.68 SMN1; SMN2 (0.32) ALDH1A1HTTSMN1; SMN2
SCHEMBL9215555 0.65 NPBWR1 (0.38) MRGPRX4CTSSCTSKDGAT1SOAT1
SCHEMBL5744940 0.64 MRGPRX4 (0.37) MRGPRX4CTSSCTSKKCNH2ALDH1A1

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