SCHEMBL9768280

SCHEMBL9768280

CSC(SC)c1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 17/20 0.45
GABRA2 P47869 17/20 0.45
GABRB2 P47870 17/20 0.45
GABRP O00591 14/20 0.45
GABRD O14764 14/20 0.45
GABRA1 P14867 14/20 0.45
GABRB1 P18505 14/20 0.45
GABRG2 P18507 14/20 0.45
GABRA5 P31644 14/20 0.45
GABRA3 P34903 14/20 0.45
GABRA4 P48169 14/20 0.45
GABRE P78334 14/20 0.45
GABRA6 Q16445 14/20 0.45
GABRG1 Q8N1C3 14/20 0.45
GABRG3 Q99928 14/20 0.45
GABRQ Q9UN88 14/20 0.45
PDE2A O00408 1/20 0.40
NPC1 O15118 1/20 0.39
PKM P14618 1/20 0.39
RAB9A P51151 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
SCHEMBL9768317 0.84 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768161 0.80 GABRB3 (0.57) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9218478 0.79 GABRA2 (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10437765 0.78 NPC1 (0.46) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9394102 0.77 GABRB3 (0.44) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9501605 0.75 SMN1; SMN2 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL27286600 0.74 KMT2A (0.41) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768126 0.72 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768130 0.72 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768155 0.72 GABRA2 (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 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