SCHEMBL6232769

SCHEMBL6232769

COc1cc(-c2ccn(C(N)=O)n2)ccc1OCc1c(F)cccc1F

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SCN4A P35499 3/20 0.49
▸ SCN9A Q15858 3/20 0.48
▸ PIK3CG P48736 1/20 0.47
▸ FYN P06241 6/20 0.42
▸ PIK3CA P42336 1/20 0.41
▸ ATR Q13535 1/20 0.41
▸ USP2 O75604 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ATM Q13315 1/20 0.41
▸ PDE4A P27815 2/20 0.40
▸ PDE4B Q07343 2/20 0.40
▸ PDE4C Q08493 2/20 0.40
▸ PDE4D Q08499 2/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ KMT2A Q03164 2/20 0.40
▸ ROCK2 O75116 1/20 0.39
▸ ROCK1 Q13464 1/20 0.39

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
SCHEMBL6232188 0.82 SCN4A (0.60) SCN4ASCN9AMEN1KMT2A
SCHEMBL6255230 0.74 PIK3CG (0.53) PIK3CGUSP2ALOX15PDE4APDE4B
SCHEMBL4491543 0.73 FYN (0.49) SCN4AFYNPIK3CAATRUSP2
SCHEMBL15086777 0.73 FYN (0.51) SCN4AFYNPIK3CAATRKMT2A
SCHEMBL12848987 0.72 RAB9A (0.68) PIK3CGPKMALOX15MEN1KMT2A
SCHEMBL6239905 0.70 KMT2A (0.52) PIK3CGMEN1KMT2A
SCHEMBL14611120 0.70 TSHR (0.61) MEN1KMT2A
SCHEMBL8807187 0.70 GAA (0.55) PIK3CGATMMEN1KMT2A
SCHEMBL3603255 0.69 PSEN1 (0.41) PIK3CGFYNPDE4APDE4BPDE4C
SCHEMBL4183271 0.69 CFTR (0.47) PIK3CGFYNPIK3CAATRPDE4A

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
WO-2005000309-A2 CHEMICAL COMPOUNDS IONIX PHARMACEUTICALS LIMITED (GB) 2005-01-06 — — WO disclosed
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