SCHEMBL10679158

SCHEMBL10679158

O=c1cc(C(F)(F)F)ccn1-c1c(Cl)cc(C(F)(F)F)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA2 P47869 7/20 0.38
GABRB2 P47870 7/20 0.38
GABRB3 P28472 7/20 0.38
GABRP O00591 3/20 0.38
GABRD O14764 3/20 0.38
GABRA1 P14867 3/20 0.38
GABRB1 P18505 3/20 0.38
GABRG2 P18507 3/20 0.38
GABRA5 P31644 3/20 0.38
GABRA3 P34903 3/20 0.38
GABRA4 P48169 3/20 0.38
GABRE P78334 3/20 0.38
GABRA6 Q16445 3/20 0.38
GABRG1 Q8N1C3 3/20 0.38
GABRG3 Q99928 3/20 0.38
GABRQ Q9UN88 3/20 0.38
ALDH1A1 P00352 2/20 0.37
ATM Q13315 2/20 0.37
MEN1 O00255 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL10800326 0.92 GABRA2 (0.35) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10684431 0.91 HSD11B1 (0.36) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9774928 0.91 GABRA2 (0.38) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL10679027 0.90 GABRA2 (0.35) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9774979 0.89 MEN1 (0.36) ALDH1A1ATMMEN1TSHRKMT2A
SCHEMBL9774740 0.86 ALDH1A1 (0.33) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9774851 0.86 MRGPRX4 (0.34) GABRA2GABRB2GABRB3GABRPGABRD
SCHEMBL9774771 0.86 SCD (0.36) ALDH1A1ATMMEN1TSHRKMT2A
SCHEMBL9774892 0.86 ALDH1A1 (0.35) ALDH1A1ATMMEN1TSHRKMT2A
SCHEMBL9730810 0.86 GABRB3 (0.37) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0216541-A1 Aryl pyridones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-01 EP claimed
CN-86106734-A ARYL PYRIDONES 1987-04-01 CN claimed
US-4725607-A MITICIDES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1988-02-16 US disclosed
EP-0216541-A1 Aryl pyridones IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1987-04-01 EP disclosed
CN-86106734-A ARYL PYRIDONES 1987-04-01 CN disclosed