SCHEMBL16613185

SCHEMBL16613185

CSc1ccc(COc2ccc(F)nc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.45
HDAC1 Q13547 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42
CYP4F2 P78329 1/20 0.41
CYP4A11 Q02928 1/20 0.41
MAOB P27338 2/20 0.39
APP P05067 1/20 0.39
PRKDC P78527 1/20 0.39
PPARG P37231 1/20 0.39
GPR119 Q8TDV5 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
SCHEMBL28999635 0.79 MAOB (0.54) HDAC1HDAC6HDAC5MAOBAPP
SCHEMBL113439 0.78 P4HTM (0.58) HDAC6MAOB
SCHEMBL115662 0.77 SLC6A4 (0.40)
SCHEMBL114283 0.77 SLC6A4 (0.39)
SCHEMBL9558824 0.75 MAOB (0.56) PTPRZ1MAOBAPP
SCHEMBL8355718 0.75 MAOB (0.56) PTPRZ1MAOBAPP
SCHEMBL9558763 0.75 APP (0.62) PTPRZ1MAOBAPP
SCHEMBL24099577 0.73 PTPRZ1 (0.46) PTPRZ1MAOBAPP
SCHEMBL9558102 0.73 APP (0.61) PTPRZ1MAOBAPP
SCHEMBL9557834 0.73 MAOB (0.61) PTPRZ1MAOBAPP

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-2424859-B1 INHIBITORS OF PI3 KINASE AND / OR MTOR AMGEN INC (US) 2015-04-08 EP disclosed