SCHEMBL9703392

SCHEMBL9703392

COC(=O)c1cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 3/20 0.46
GABRB2 P47870 3/20 0.46
GABRP O00591 2/20 0.46
GABRD O14764 2/20 0.46
GABRA1 P14867 2/20 0.46
GABRB1 P18505 2/20 0.46
GABRG2 P18507 2/20 0.46
GABRB3 P28472 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA4 P48169 2/20 0.46
GABRE P78334 2/20 0.46
GABRA6 Q16445 2/20 0.46
GABRG1 Q8N1C3 2/20 0.46
GABRG3 Q99928 2/20 0.46
GABRQ Q9UN88 2/20 0.46
CFTR P13569 1/20 0.42
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
MRGPRX4 Q96LA9 2/20 0.40

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
SCHEMBL3102321 0.75 NOTUM (0.47) CFTRLMNAGAAMAPTNOTUM
SCHEMBL9780227 0.74 GABRA2 (0.49) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL8335367 0.74 CFTR (0.50) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL27387385 0.74 CFTR (0.53) CFTRMAPTNOTUMKDM4EGPR35
SCHEMBL2657595 0.73 MRGPRX4 (0.51) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL9704037 0.72 GABRB3 (0.44) GABRA2GABRB2GABRB3RXFP1
SCHEMBL9704022 0.72 GABRB3 (0.41) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL28123606 0.72 CFTR (0.43) GABRA2GABRB2GABRPGABRDGABRA1
SCHEMBL6848053 0.71 CFTR (0.67) CFTRLMNAGAAMRGPRX4MAPT
SCHEMBL9703384 0.71 GABRB3 (0.51) GABRA2GABRB2GABRPGABRDGABRA1

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