SCHEMBL9502887

SCHEMBL9502887

O/N=C/c1cnn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
GABRB3 P28472 5/20 0.39
GABRA2 P47869 5/20 0.38
GABRB2 P47870 5/20 0.38
GABRP O00591 4/20 0.38
GABRD O14764 4/20 0.38
GABRA1 P14867 4/20 0.38
GABRB1 P18505 4/20 0.38
GABRG2 P18507 4/20 0.38
GABRA5 P31644 4/20 0.38
GABRA3 P34903 4/20 0.38
GABRA4 P48169 4/20 0.38
GABRE P78334 4/20 0.38
GABRA6 Q16445 4/20 0.38
GABRG1 Q8N1C3 4/20 0.38
GABRG3 Q99928 4/20 0.38
GABRQ Q9UN88 4/20 0.38
PLAU P00749 1/20 0.37
NPSR1 Q6W5P4 3/20 0.36
NPC1 O15118 2/20 0.36

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
SCHEMBL9213855 1.00 P2RX7 (0.47) P2RX7GABRB3GABRA2GABRB2GABRP
SCHEMBL27256966 0.86 ALDH1A1 (0.44) P2RX7GABRB3GABRA2GABRB2GABRP
SCHEMBL9213953 0.82 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768169 0.81 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768130 0.80 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9768126 0.80 GABRB3 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9501521 0.78 MAPT (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9218454 0.78 MAPT (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9212684 0.77 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9717689 0.77 GABRB3 (0.40) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5189053-A Insecticide, acaricide and endoparasiticide SCHERING AGROCHEMICALS LIMITED (GB) 1993-02-23 US disclosed
US-5109012-A 2-IMIDAZOL(IN)E SUBSTITUTED ARYL-1,2,3-TRIAZOLE PESTICIDES SCHERING AGROCHEMICALS LIMITED (GB) 1992-04-28 US disclosed
US-5064844-A Miticides SCHERING AGROCHEMICALS LIMITED (GB) 1991-11-12 US disclosed