SCHEMBL9504169

SCHEMBL9504169

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N(C)C)c1C=NC(C#N)=C(N)C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.38
GABRA2 P47869 15/20 0.38
GABRB2 P47870 15/20 0.38
GABRP O00591 14/20 0.38
GABRD O14764 14/20 0.38
GABRA1 P14867 14/20 0.38
GABRB1 P18505 14/20 0.38
GABRG2 P18507 14/20 0.38
GABRA5 P31644 14/20 0.38
GABRA3 P34903 14/20 0.38
GABRA4 P48169 14/20 0.38
GABRE P78334 14/20 0.38
GABRA6 Q16445 14/20 0.38
GABRG1 Q8N1C3 14/20 0.38
GABRG3 Q99928 14/20 0.38
GABRQ Q9UN88 14/20 0.38
LMNA P02545 2/20 0.37
NR1I2 O75469 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL9504165 1.00 GABRB3 (0.38) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3191209 0.89 LMNA (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9218260 0.89 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9218268 0.89 GABRB3 (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5245692 0.89 LMNA (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9216331 0.88 GABRP (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9502977 0.79 GABRA2 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9502983 0.79 GABRA2 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9501896 0.78 GAA (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9218561 0.78 GAA (0.39) GABRB3GABRA2GABRB2GABRPGABRD

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-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed