SCHEMBL10444827

SCHEMBL10444827

O=Cc1cc(C(F)(F)F)cn(-c2c(Cl)cc(C(F)(F)F)cc2Cl)c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRB3 P28472 2/20 0.38
GABRA2 P47869 7/20 0.37
GABRB2 P47870 7/20 0.37
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
GABRA6 Q16445 1/20 0.37
GABRG1 Q8N1C3 1/20 0.37
GABRG3 Q99928 1/20 0.37
GABRQ Q9UN88 1/20 0.37
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 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
SCHEMBL10676858 0.84 GABRB3 (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10681709 0.80 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL9705595 0.78 GABRA2 (0.36) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10673941 0.76 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10339152 0.75 GAA (0.43) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10444731 0.74 CYP3A4 (0.55) MEN1KMT2A
SCHEMBL10672950 0.74 MEN1 (0.39) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10674757 0.73 GABRB3 (0.40) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL10679445 0.72 GABRB3 (0.37) GABRB3GABRA2GABRB2GABRPGABRD
SCHEMBL6869652 0.72 ALDH1A1 (0.53) MEN1KMT2A

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
EP-0367410-A1 Aryl pyridones as insecticidal agents IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-05-09 EP disclosed