SCHEMBL9340434

SCHEMBL9340434

O=c1cc(C(F)(F)C(F)(F)F)ncn1-c1c(F)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 9/20 0.35
GABRB2 P47870 9/20 0.35
GABRB3 P28472 9/20 0.33
GABRP O00591 4/20 0.33
GABRD O14764 4/20 0.33
GABRA1 P14867 4/20 0.33
GABRB1 P18505 4/20 0.33
GABRG2 P18507 4/20 0.33
GABRA5 P31644 4/20 0.33
GABRA3 P34903 4/20 0.33
GABRA4 P48169 4/20 0.33
GABRE P78334 4/20 0.33
GABRA6 Q16445 4/20 0.33
GABRG1 Q8N1C3 4/20 0.33
GABRG3 Q99928 4/20 0.33
GABRQ Q9UN88 4/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ACHE P22303 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 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
SCHEMBL9339490 0.92 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9340316 0.91 GABRA2 (0.37) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9593760 0.86 GABRA2 (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9723059 0.85 NPSR1 (0.31) GABRA2GABRB2L3MBTL1NPSR1
SCHEMBL9730652 0.85 ALDH1A1 (0.32)
SCHEMBL9730698 0.85 GABRB3 (0.30) GABRB3
SCHEMBL9581512 0.84 SORT1 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9582023 0.83 GABRA2 (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9592805 0.83 GABRA2 (0.33) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9723106 0.83 GABRA2 (0.40) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0338686-B1 Pyrimidinone derivatives ZENECA LTD (GB) 1994-06-22 EP disclosed
US-5149810-A Chemical intermediates for insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-09-22 US disclosed
US-5077297-A Insecticides IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1991-12-31 US disclosed
EP-0338686-A2 Pyrimidinone derivatives ZENECA LIMITED (GB) 1989-10-25 EP disclosed