SCHEMBL9217243

SCHEMBL9217243

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(N)c1-c1nc(C#N)c(C#N)[nH]1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 20/20 0.53
GABRD O14764 20/20 0.53
GABRA1 P14867 20/20 0.53
GABRB1 P18505 20/20 0.53
GABRG2 P18507 20/20 0.53
GABRB3 P28472 20/20 0.53
GABRA5 P31644 20/20 0.53
GABRA3 P34903 20/20 0.53
GABRA2 P47869 20/20 0.53
GABRB2 P47870 20/20 0.53
GABRA4 P48169 20/20 0.53
GABRE P78334 20/20 0.53
GABRA6 Q16445 20/20 0.53
GABRG1 Q8N1C3 20/20 0.53
GABRG3 Q99928 20/20 0.53
GABRQ Q9UN88 20/20 0.53
NR1I2 O75469 1/20 0.53
LMNA P02545 1/20 0.53
CYP3A4 P08684 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53

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
SCHEMBL9218421 0.90 GABRB3 (0.42) GABRPGABRDGABRA1GABRB1GABRG2
Fampronil SCHEMBL3190111 0.90 GABRB3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9209211 0.86 GABRB3 (0.40) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9703634 0.82 GABRB3 (0.49) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL14497434 0.81 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9705592 0.81 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9704250 0.80 GABRP (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3195618 0.80 GABRB3 (0.44) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3195031 0.80 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3195598 0.80 GABRB3 (0.43) GABRPGABRDGABRA1GABRB1GABRG2

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 4 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
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed