SCHEMBL9768348

SCHEMBL9768348

Cc1nn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)nc1SC#N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 18/20 0.47
GABRA2 P47869 17/20 0.47
GABRB2 P47870 17/20 0.47
GABRP O00591 15/20 0.47
GABRD O14764 15/20 0.47
GABRA1 P14867 15/20 0.47
GABRB1 P18505 15/20 0.47
GABRG2 P18507 15/20 0.47
GABRA5 P31644 15/20 0.47
GABRA3 P34903 15/20 0.47
GABRA4 P48169 15/20 0.47
GABRE P78334 15/20 0.47
GABRA6 Q16445 15/20 0.47
GABRG1 Q8N1C3 15/20 0.47
GABRG3 Q99928 15/20 0.47
GABRQ Q9UN88 15/20 0.47
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
NR1I2 O75469 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL9768186 0.83 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768273 0.81 GABRB3 (0.47) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768150 0.81 GABRB3 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768263 0.80 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768104 0.80 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768129 0.80 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768109 0.78 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
Dimethylamine SCHEMBL9768185 0.78 GABRB3 (0.51) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768218 0.78 GABRB3 (0.48) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9209080 0.78 GABRB3 (0.41) 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