SCHEMBL9704022

SCHEMBL9704022

Cc1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C=O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 15/20 0.41
GABRA2 P47869 13/20 0.41
GABRB2 P47870 13/20 0.41
GABRP O00591 7/20 0.38
GABRD O14764 7/20 0.38
GABRA1 P14867 7/20 0.38
GABRB1 P18505 7/20 0.38
GABRG2 P18507 7/20 0.38
GABRA5 P31644 7/20 0.38
GABRA3 P34903 7/20 0.38
GABRA4 P48169 7/20 0.38
GABRE P78334 7/20 0.38
GABRA6 Q16445 7/20 0.38
GABRG1 Q8N1C3 7/20 0.38
GABRG3 Q99928 7/20 0.38
GABRQ Q9UN88 7/20 0.38
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36

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
SCHEMBL9704209 0.73 LMNA (0.47) GABRB3GABRA2GABRB2
SCHEMBL9704037 0.73 GABRB3 (0.44) GABRB3GABRA2GABRB2
SCHEMBL3102569 0.72 CYP1A2 (0.43)
SCHEMBL9705595 0.72 GABRA2 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9703392 0.72 GABRA2 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9704591 0.72 GAA (0.42) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9705638 0.72 GRIA1 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9211808 0.71 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10561539 0.71 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10444827 0.71 GABRB3 (0.38) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992013451-A1 IMIDAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-08-20 WO disclosed