SCHEMBL9684175

SCHEMBL9684175

CC(C)(O)c1ncc(C(F)(F)F)c(=O)n1-c1c(Cl)cc(C(F)(F)F)cc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
AR P10275 5/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
GABRB3 P28472 4/20 0.35
GABRA2 P47869 4/20 0.35
GABRB2 P47870 4/20 0.35
GABRP O00591 3/20 0.35
GABRD O14764 3/20 0.35
GABRA1 P14867 3/20 0.35
GABRB1 P18505 3/20 0.35
GABRG2 P18507 3/20 0.35
GABRA5 P31644 3/20 0.35
GABRA3 P34903 3/20 0.35
GABRA4 P48169 3/20 0.35
GABRE P78334 3/20 0.35
GABRA6 Q16445 3/20 0.35
GABRG1 Q8N1C3 3/20 0.35
GABRG3 Q99928 3/20 0.35
GABRQ Q9UN88 3/20 0.35

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
SCHEMBL9684172 0.78 GAA (0.40) GAAARKDM4EALDH1A1GABRB3
SCHEMBL9730854 0.69 GABRB3 (0.38) GAAARKDM4EALDH1A1GABRB3
SCHEMBL9582428 0.68 GAA (0.40) GAAKDM4EALDH1A1GABRB3GABRA2
SCHEMBL9730755 0.67 GAA (0.43) GAAARKDM4EALDH1A1GABRB3
SCHEMBL9681975 0.67 GAA (0.41) GAAKDM4EALDH1A1GABRB3GABRA2
SCHEMBL9685317 0.67 GAA (0.38) GAAKDM4EALDH1A1GABRB3GABRA2
SCHEMBL10339152 0.66 GAA (0.43) GAAARKDM4EALDH1A1GABRB3
SCHEMBL9582286 0.65 GABRA2 (0.38) GAAKDM4EALDH1A1GABRB3GABRA2
SCHEMBL9581399 0.65 GABRB3 (0.35) GAAARKDM4EALDH1A1GABRB3
SCHEMBL9683955 0.65 GAA (0.38) GAAKDM4EALDH1A1GABRB3GABRA2

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-0481604-A1 Heterocyclic compounds IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-04-22 EP disclosed