SCHEMBL9768128

SCHEMBL9768128

CSC(=NOC(C)=O)C(C)=NNc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRP O00591 2/20 0.33
GABRD O14764 2/20 0.33
GABRA1 P14867 2/20 0.33
GABRB1 P18505 2/20 0.33
GABRG2 P18507 2/20 0.33
GABRB3 P28472 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRA3 P34903 2/20 0.33
GABRA2 P47869 2/20 0.33
GABRB2 P47870 2/20 0.33
GABRA4 P48169 2/20 0.33
GABRE P78334 2/20 0.33
GABRA6 Q16445 2/20 0.33
GABRG1 Q8N1C3 2/20 0.33
GABRG3 Q99928 2/20 0.33
GABRQ Q9UN88 2/20 0.33
ABCB1 P08183 1/20 0.33
ALDH1A1 P00352 9/20 0.33
GAA P10253 5/20 0.33
KMT2A Q03164 2/20 0.33

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
SCHEMBL10437728 0.83 GAA (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL10437727 0.83 GAA (0.34) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9768184 0.78 MAPT (0.47) ALDH1A1GAAKMT2ARAB9AMEN1
SCHEMBL9215579 0.78 FGFR4 (0.34) ABCB1ALDH1A1GAAKMT2AMEN1
SCHEMBL9215574 0.78 FGFR4 (0.34) ABCB1ALDH1A1GAAKMT2AMEN1
SCHEMBL9218156 0.76 ABCB1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9218150 0.76 ABCB1 (0.57) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9768124 0.73 MAPT (0.33) ALDH1A1GAAKMT2ARAB9AMEN1
SCHEMBL7713546 0.72 ALDH1A1 (0.38) ABCB1ALDH1A1GAAKMT2AMEN1
SCHEMBL7713550 0.72 ALDH1A1 (0.38) ABCB1ALDH1A1GAAKMT2AMEN1

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