SCHEMBL9212958

SCHEMBL9212958

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1C=O

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 14/20 0.43
GABRA2 P47869 14/20 0.43
GABRB2 P47870 14/20 0.43
GABRP O00591 9/20 0.43
GABRD O14764 9/20 0.43
GABRA1 P14867 9/20 0.43
GABRB1 P18505 9/20 0.43
GABRG2 P18507 9/20 0.43
GABRA5 P31644 9/20 0.43
GABRA3 P34903 9/20 0.43
GABRA4 P48169 9/20 0.43
GABRE P78334 9/20 0.43
GABRA6 Q16445 9/20 0.43
GABRG1 Q8N1C3 9/20 0.43
GABRG3 Q99928 9/20 0.43
GABRQ Q9UN88 9/20 0.43
CDK4 P11802 1/20 0.37
CCND1 P24385 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
SCHEMBL9211505 0.84 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9287814 0.82 GABRP (0.30) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9219079 0.82 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
Dimethylamine SCHEMBL9768185 0.80 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768218 0.80 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9210651 0.80 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9217380 0.78 GABRB3 (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768144 0.78 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768212 0.77 PKM (0.49) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768186 0.77 GABRP (0.57) 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
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
CN-1039345-A TRIAZOLE INSECTICIDES SCHERING AGROCHEMICALS LTD (GB) 1990-02-07 CN disclosed