SCHEMBL9219359

SCHEMBL9219359

CSc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c(Br)c1C=O

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRP O00591 19/20 0.61
GABRD O14764 19/20 0.61
GABRA1 P14867 19/20 0.61
GABRB1 P18505 19/20 0.61
GABRG2 P18507 19/20 0.61
GABRB3 P28472 19/20 0.61
GABRA5 P31644 19/20 0.61
GABRA3 P34903 19/20 0.61
GABRA2 P47869 19/20 0.61
GABRB2 P47870 19/20 0.61
GABRA4 P48169 19/20 0.61
GABRE P78334 19/20 0.61
GABRA6 Q16445 19/20 0.61
GABRG1 Q8N1C3 19/20 0.61
GABRG3 Q99928 19/20 0.61
GABRQ Q9UN88 19/20 0.61
CDK4 P11802 1/20 0.50
CCND1 P24385 1/20 0.50

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
SCHEMBL27257343 0.79 GABRP (0.62) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9216964 0.78 GABRP (0.61) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9501553 0.77 GABRP (0.77) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6927164 0.76 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9217085 0.76 GABRP (0.50) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL7022491 0.73 GABRB3 (0.55) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL13134033 0.73 GABRP (0.52) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL3202450 0.73 GABRB3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9211808 0.73 GABRB3 (0.48) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6927865 0.73 GABRP (1.00) GABRPGABRDGABRA1GABRB1GABRG2

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 3 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
EP-0412849-A2 Azole pesticides AgrEvo UK Limited (GB) 1991-02-13 EP disclosed