SCHEMBL8599583

SCHEMBL8599583

C=CCc1c(C=CCCCC(C)F)ccc2cc(-c3ncccn3)ccc12

nearest known ligand 0.30

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.30
PIP5K1C O60331 1/20 0.30
PI4KA P42356 1/20 0.30
PIK3CG P48736 1/20 0.30
PI4KB Q9UBF8 1/20 0.30

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
SCHEMBL8599512 0.85 MAPT (0.32)
SCHEMBL8603734 0.84 PIK3CD (0.31) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL8601974 0.80
SCHEMBL8600215 0.80 ALOX5 (0.30)
SCHEMBL8600108 0.78 MAPT (0.31) PIK3CDPIP5K1CPI4KAPIK3CGPI4KB
SCHEMBL8602518 0.75 SQOR (0.32) PIK3CDPIK3CG
SCHEMBL7559040 0.74 ALDH1A1 (0.30)
SCHEMBL7559045 0.74 ALDH1A1 (0.30)
SCHEMBL8599582 0.73
SCHEMBL8673410 0.73

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
US-5779934-A FLUORINATING AN ALCOHOL DERIVATIVE SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-07-14 US disclosed