SCHEMBL9768161

SCHEMBL9768161

CSc1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.57

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 20/20 0.57
GABRA2 P47869 19/20 0.57
GABRB2 P47870 19/20 0.57
GABRP O00591 17/20 0.57
GABRD O14764 17/20 0.57
GABRA1 P14867 17/20 0.57
GABRB1 P18505 17/20 0.57
GABRG2 P18507 17/20 0.57
GABRA5 P31644 17/20 0.57
GABRA3 P34903 17/20 0.57
GABRA4 P48169 17/20 0.57
GABRE P78334 17/20 0.57
GABRA6 Q16445 17/20 0.57
GABRG1 Q8N1C3 17/20 0.57
GABRG3 Q99928 17/20 0.57
GABRQ Q9UN88 17/20 0.57

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
SCHEMBL10437765 0.80 NPC1 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768280 0.80 GABRB3 (0.45) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9394102 0.79 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27286600 0.77 KMT2A (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9217807 0.77 GABRA2 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9218478 0.76 GABRA2 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
Methane SCHEMBL27278091 0.75 GABRA2 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768186 0.75 GABRP (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768317 0.75 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768130 0.74 GABRB3 (0.39) 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
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed