SCHEMBL9704400

SCHEMBL9704400

N#Cc1nc(-c2ccn(-c3c(Cl)cc(C(F)(F)F)cc3Cl)c2)[nH]c1C#N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 9/20 0.38
GABRB2 P47870 9/20 0.38
GABRB3 P28472 5/20 0.38
SMN1; SMN2 Q16637 5/20 0.38
GABRP O00591 4/20 0.38
GABRD O14764 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA4 P48169 4/20 0.38
GABRE P78334 4/20 0.38
GABRA6 Q16445 4/20 0.38
GABRG1 Q8N1C3 4/20 0.38
GABRG3 Q99928 4/20 0.38
GABRQ Q9UN88 4/20 0.38
LMNA P02545 2/20 0.38
CYP3A4 P08684 2/20 0.38
NR1I2 O75469 1/20 0.38

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
SCHEMBL9219860 0.81 GABRB3 (0.47) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9704208 0.81 GABRA2 (0.36) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9703893 0.79 GABRA2 (0.41) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9215555 0.78 NPBWR1 (0.38) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9705023 0.78 GABRA2 (0.36) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9218702 0.77 GABRA2 (0.46) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9705129 0.76 GABRA2 (0.39) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9703909 0.76 GABRB3 (0.38) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9703634 0.76 GABRB3 (0.49) GABRA2GABRB2GABRB3SMN1; SMN2GABRP
SCHEMBL9705037 0.76 GABRB3 (0.44) GABRA2GABRB2GABRB3SMN1; SMN2GABRP

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