SCHEMBL9502983

SCHEMBL9502983

CC(C)(C)c1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Cl)c1C=NC(C#N)=C(N)C#N

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 18/20 0.39
GABRB2 P47870 18/20 0.39
GABRP O00591 17/20 0.39
GABRD O14764 17/20 0.39
GABRA1 P14867 17/20 0.39
GABRB1 P18505 17/20 0.39
GABRG2 P18507 17/20 0.39
GABRB3 P28472 17/20 0.39
GABRA5 P31644 17/20 0.39
GABRA3 P34903 17/20 0.39
GABRA4 P48169 17/20 0.39
GABRE P78334 17/20 0.39
GABRA6 Q16445 17/20 0.39
GABRG1 Q8N1C3 17/20 0.39
GABRG3 Q99928 17/20 0.39
GABRQ Q9UN88 17/20 0.39
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38
CYP3A4 P08684 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL9502977 1.00 GABRA2 (0.39) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL5245692 0.88 LMNA (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL3191209 0.88 LMNA (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9704876 0.83 GABRP (0.44) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9704872 0.83 GABRP (0.44) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9218260 0.82 GABRB3 (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9218268 0.82 GABRB3 (0.42) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9216331 0.82 GABRP (0.46) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9704300 0.81 GABRB3 (0.46) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9704292 0.81 GABRB3 (0.46) GABRA2GABRB2GABRPGABRDGABRA1

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