SCHEMBL9703419

SCHEMBL9703419

N#Cc1nc(/C(N)=N\Nc2c(Cl)cc(C(F)(F)F)cc2Cl)[nH]c1C#N

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
NR1I2 O75469 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
GABRB2 P47870 1/20 0.33
GABRA4 P48169 1/20 0.33
GABRE P78334 1/20 0.33
GABRA6 Q16445 1/20 0.33
GABRG1 Q8N1C3 1/20 0.33
GABRG3 Q99928 1/20 0.33
GABRQ Q9UN88 1/20 0.33

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
SCHEMBL9703425 1.00 SMN1; SMN2 (0.33) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL9704426 0.88 SMN1; SMN2 (0.32) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL9704419 0.88 SMN1; SMN2 (0.32) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL9703422 0.75 MRGPRX4 (0.34) SMN1; SMN2ALDH1A1MRGPRX4HTT
SCHEMBL9215555 0.70 NPBWR1 (0.38) SMN1; SMN2GABRPGABRDNR1I2LMNA
SCHEMBL9704423 0.67 MRGPRX4 (0.33) MRGPRX4
SCHEMBL6258551 0.67 RAPGEF3 (0.38) SMN1; SMN2LMNAGAAALDH1A1MAPT
SCHEMBL5743661 0.66 GAA (0.37) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL3326397 0.66 GAA (0.37) SMN1; SMN2LMNAGAAKDM4EALDH1A1
SCHEMBL9220607 0.65 CTSS (0.40) LMNAGAAMRGPRX4

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