SCHEMBL9768313

SCHEMBL9768313

CSCC(C=NO)=NNc1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.33
KDM4E B2RXH2 2/20 0.33
GABRP O00591 2/20 0.32
GABRD O14764 2/20 0.32
GABRA1 P14867 2/20 0.32
GABRB1 P18505 2/20 0.32
GABRG2 P18507 2/20 0.32
GABRB3 P28472 2/20 0.32
GABRA5 P31644 2/20 0.32
GABRA3 P34903 2/20 0.32
GABRA2 P47869 2/20 0.32
GABRB2 P47870 2/20 0.32
GABRA4 P48169 2/20 0.32
GABRE P78334 2/20 0.32
GABRA6 Q16445 2/20 0.32
GABRG1 Q8N1C3 2/20 0.32
GABRG3 Q99928 2/20 0.32
GABRQ Q9UN88 2/20 0.32
KMT2A Q03164 1/20 0.31
GAA P10253 2/20 0.31

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
SCHEMBL9768197 0.79 GAA (0.36) ALDH1A1KDM4EKMT2AGAAHTT
SCHEMBL9768202 0.79 GAA (0.36) ALDH1A1KDM4EKMT2AGAAHTT
SCHEMBL9218250 0.78 GAA (0.33) ALDH1A1KDM4EKMT2AGAAHTT
SCHEMBL9397599 0.76 ALDH1A1 (0.35) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL9768157 0.71 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AGAA
SCHEMBL9768163 0.71 ALDH1A1 (0.37) ALDH1A1KDM4EKMT2AGAA
SCHEMBL9216170 0.71 ABCB1 (0.56) ALDH1A1KDM4EGABRPGABRDGABRA1
SCHEMBL10437728 0.70 GAA (0.34) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL10437727 0.70 GAA (0.34) ALDH1A1GABRPGABRDGABRA1GABRB1
SCHEMBL9212167 0.70 ABCB1 (0.58) ALDH1A1KDM4EGABRPGABRDGABRA1

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