SCHEMBL9218449

SCHEMBL9218449

CCc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1-c1nc(C#N)c(C#N)[nH]1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.40
GABRA2 P47869 12/20 0.40
GABRB2 P47870 12/20 0.40
GABRP O00591 6/20 0.39
GABRD O14764 6/20 0.39
GABRA1 P14867 6/20 0.39
GABRB1 P18505 6/20 0.39
GABRG2 P18507 6/20 0.39
GABRA5 P31644 6/20 0.39
GABRA3 P34903 6/20 0.39
GABRA4 P48169 6/20 0.39
GABRE P78334 6/20 0.39
GABRA6 Q16445 6/20 0.39
GABRG1 Q8N1C3 6/20 0.39
GABRG3 Q99928 6/20 0.39
GABRQ Q9UN88 6/20 0.39
NR1I2 O75469 1/20 0.37
LMNA P02545 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
SCHEMBL9209909 0.91 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9210928 0.88 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9216218 0.87 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9211807 0.86 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3195618 0.81 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9210997 0.78 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9217426 0.78 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9705592 0.77 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9705129 0.77 GABRA2 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9705037 0.77 GABRB3 (0.44) 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 5 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
CN-1025582-C Azole pesticides SCHERING AGROCHEMICALS LTD (GB) 1994-08-10 CN 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
CN-1049341-A AZOLE PESTICIDES SCHERING AGROCHEMICALS LTD (GB) 1991-02-20 CN disclosed