SCHEMBL9768129

SCHEMBL9768129

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SCCl

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.45
GABRA2 P47869 16/20 0.45
GABRB2 P47870 16/20 0.45
GABRP O00591 12/20 0.45
GABRD O14764 12/20 0.45
GABRA1 P14867 12/20 0.45
GABRB1 P18505 12/20 0.45
GABRG2 P18507 12/20 0.45
GABRA5 P31644 12/20 0.45
GABRA3 P34903 12/20 0.45
GABRA4 P48169 12/20 0.45
GABRE P78334 12/20 0.45
GABRA6 Q16445 12/20 0.45
GABRG1 Q8N1C3 12/20 0.45
GABRG3 Q99928 12/20 0.45
GABRQ Q9UN88 12/20 0.45
CDK4 P11802 1/20 0.39
CCND1 P24385 1/20 0.39

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
SCHEMBL9768109 0.88 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768181 0.86 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768239 0.85 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768136 0.84 GABRB3 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768186 0.84 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768150 0.82 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768104 0.81 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768263 0.81 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768348 0.80 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
Dimethylamine SCHEMBL9768185 0.79 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed
EP-0350237-A2 Triazole insecticides SCHERING AGROCHEMICALS LIMITED (GB) 1990-01-10 EP disclosed