SCHEMBL9723104

SCHEMBL9723104

O=c1cc(C(F)(F)F)ncn1-c1c(Cl)cc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 6/20 0.37
GABRB2 P47870 6/20 0.37
HCAR1 Q9BXC0 2/20 0.36
GABRB3 P28472 6/20 0.35
GABRP O00591 2/20 0.35
GABRD O14764 2/20 0.35
GABRA1 P14867 2/20 0.35
GABRB1 P18505 2/20 0.35
GABRG2 P18507 2/20 0.35
GABRA5 P31644 2/20 0.35
GABRA3 P34903 2/20 0.35
GABRA4 P48169 2/20 0.35
GABRE P78334 2/20 0.35
GABRA6 Q16445 2/20 0.35
GABRG1 Q8N1C3 2/20 0.35
GABRG3 Q99928 2/20 0.35
GABRQ Q9UN88 2/20 0.35
NPSR1 Q6W5P4 1/20 0.34
LMNA P02545 2/20 0.34
KDM5B Q9UGL1 1/20 0.34

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
SCHEMBL9723106 0.92 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9340316 0.86 GABRA2 (0.37) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9339471 0.85 GABRA2 (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9339481 0.85 GABRA2 (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9723150 0.84 ALDH1A1 (0.37) HCAR1LMNAKDM5BALDH1A1
SCHEMBL9723095 0.84 HCAR1 (0.36) HCAR1GABRB3KDM5BALDH1A1
SCHEMBL9723081 0.82 NPSR1 (0.35) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9339490 0.82 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9594110 0.82 L3MBTL1 (0.35) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9582286 0.82 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD

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-5104878-A Insecticides, miticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-14 US disclosed
EP-0396250-A1 Pyrimidinone derivatives ZENECA LIMITED (GB) 1990-11-07 EP disclosed