SCHEMBL9704380

SCHEMBL9704380

CCOC(=O)c1c(-c2nc(C#N)c(C#N)[nH]2)nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1N

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.59
GABRP O00591 15/20 0.59
GABRD O14764 15/20 0.59
GABRA1 P14867 15/20 0.59
GABRB1 P18505 15/20 0.59
GABRG2 P18507 15/20 0.59
GABRA5 P31644 15/20 0.59
GABRA3 P34903 15/20 0.59
GABRA2 P47869 15/20 0.59
GABRB2 P47870 15/20 0.59
GABRA4 P48169 15/20 0.59
GABRE P78334 15/20 0.59
GABRA6 Q16445 15/20 0.59
GABRG1 Q8N1C3 15/20 0.59
GABRG3 Q99928 15/20 0.59
GABRQ Q9UN88 15/20 0.59
NR1I2 O75469 1/20 0.45
LMNA P02545 1/20 0.45
CYP3A4 P08684 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL9703864 0.90 GABRB3 (0.48) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7574324 0.85 GABRB3 (0.70) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9703535 0.81 GABRB3 (0.45) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9704250 0.80 GABRP (0.48) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9217243 0.79 GABRP (0.53) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7707130 0.78 GABRB3 (0.77) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7711694 0.78 GABRB3 (0.77) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL7706572 0.78 GABRB3 (0.77) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL10571736 0.77 GABRB3 (0.76) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9704304 0.77 GABRB3 (0.76) GABRB3GABRPGABRDGABRA1GABRB1

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