SCHEMBL9339495

SCHEMBL9339495

O=c1c(Br)c(C(F)(F)F)ncn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 11/20 0.40
GABRB2 P47870 11/20 0.40
GABRB3 P28472 11/20 0.40
GABRP O00591 5/20 0.40
GABRD O14764 5/20 0.40
GABRA1 P14867 5/20 0.40
GABRB1 P18505 5/20 0.40
GABRG2 P18507 5/20 0.40
GABRA5 P31644 5/20 0.40
GABRA3 P34903 5/20 0.40
GABRA4 P48169 5/20 0.40
GABRE P78334 5/20 0.40
GABRA6 Q16445 5/20 0.40
GABRG1 Q8N1C3 5/20 0.40
GABRG3 Q99928 5/20 0.40
GABRQ Q9UN88 5/20 0.40
ACHE P22303 1/20 0.35
DDR1 Q08345 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
SCHEMBL9723061 0.92 GABRA2 (0.37) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9723082 0.91 GABRP (0.33) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9683955 0.88 GAA (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9340200 0.87 TDP1 (0.44) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9340204 0.84 HCAR1 (0.30)
SCHEMBL9723107 0.84 DDR1 (0.37) DDR1
SCHEMBL9723058 0.84 GABRP (0.33) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9723046 0.83 GABRB3 (0.39) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9723092 0.83 GABRA2 (0.40) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9723045 0.81 HCAR1 (0.36) GABRB3DDR1

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