SCHEMBL9215567

SCHEMBL9215567

N#CC(N)=C(C#N)N=CCc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 7/20 0.34
GABRP O00591 6/20 0.34
GABRD O14764 6/20 0.34
GABRA1 P14867 6/20 0.34
GABRB1 P18505 6/20 0.34
GABRG2 P18507 6/20 0.34
GABRA5 P31644 6/20 0.34
GABRA3 P34903 6/20 0.34
GABRA2 P47869 6/20 0.34
GABRB2 P47870 6/20 0.34
GABRA4 P48169 6/20 0.34
GABRE P78334 6/20 0.34
GABRA6 Q16445 6/20 0.34
GABRG1 Q8N1C3 6/20 0.34
GABRG3 Q99928 6/20 0.34
GABRQ Q9UN88 6/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NR1I2 O75469 1/20 0.34
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34

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
SCHEMBL9501595 1.00 GABRB3 (0.34) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9221073 0.87 PLAU (0.34) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9500463 0.87 PLAU (0.34) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9218454 0.83 MAPT (0.40) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9501521 0.83 MAPT (0.40) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9208952 0.82 GABRB3 (0.35) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9501950 0.82 GABRB3 (0.35) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9501578 0.78 GABRB3 (0.36) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9216648 0.78 GABRB3 (0.36) GABRB3GABRPGABRDGABRA1GABRB1
SCHEMBL9500624 0.75 GAA (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0412849-B1 Azole pesticides AGREVO UK LTD (GB) 1995-12-20 EP disclosed
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