SCHEMBL1854584

SCHEMBL1854584

CCOC(=O)c1cccc(-c2cccc3cc(Cc4c[nH]c(=O)c(C)c4)sc23)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR52 Q9Y2T5 4/20 0.48
PRKDC P78527 1/20 0.40
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
S1PR4 O95977 1/20 0.39
S1PR5 Q9H228 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
GALR1 P47211 1/20 0.38
PABPC1 P11940 1/20 0.37
APOBEC3A P31941 1/20 0.37
EIF4H Q15056 1/20 0.37
APOBEC3G Q9HC16 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
SCHEMBL1849612 0.89 GPR52 (0.48) GPR52PRKDCTP53POLBHPGD
SCHEMBL1850159 0.85 GPR52 (0.54) GPR52PRKDCTP53POLBHPGD
SCHEMBL3219547 0.83 GPR52 (0.54) GPR52TP53POLBHPGDS1PR4
SCHEMBL1850789 0.82 GPR52 (0.53) GPR52PRKDCTP53POLBHPGD
SCHEMBL1848922 0.82 GPR52 (0.46) GPR52PRKDCTP53POLBHPGD
SCHEMBL3196519 0.81 GPR52 (0.47) GPR52PRKDCTP53POLBHPGD
SCHEMBL3204381 0.81 GPR52 (0.49) GPR52PRKDCTP53POLBHPGD
SCHEMBL1848571 0.81 GPR52 (0.52) GPR52TP53POLBHPGDS1PR4
SCHEMBL1848119 0.81 GPR52 (0.71) GPR52HPGDS1PR4S1PR5ALDH1A1
SCHEMBL1847859 0.81 GPR52 (0.46) GPR52PRKDCTP53POLBHPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2323978-A1 AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2011-05-25 EP disclosed
WO-2010018874-A1 AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-02-18 WO disclosed