SCHEMBL9211808

SCHEMBL9211808

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(C)c1C=O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 19/20 0.48
GABRA2 P47869 14/20 0.48
GABRB2 P47870 14/20 0.48
GABRP O00591 11/20 0.48
GABRD O14764 11/20 0.48
GABRA1 P14867 11/20 0.48
GABRB1 P18505 11/20 0.48
GABRG2 P18507 11/20 0.48
GABRA5 P31644 11/20 0.48
GABRA3 P34903 11/20 0.48
GABRA4 P48169 11/20 0.48
GABRE P78334 11/20 0.48
GABRA6 Q16445 11/20 0.48
GABRG1 Q8N1C3 11/20 0.48
GABRG3 Q99928 11/20 0.48
GABRQ Q9UN88 11/20 0.48
CDK4 P11802 1/20 0.41
CCND1 P24385 1/20 0.41

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
SCHEMBL3202450 0.89 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9209787 0.86 GABRB3 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6967306 0.86 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9208127 0.84 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10478338 0.80 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10478432 0.78 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6969042 0.78 GABRB3 (0.54) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL3257450 0.76 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL5904596 0.75 BRAF (0.43)
SCHEMBL10478433 0.75 GABRB3 (0.51) 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 6 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
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed