SCHEMBL4055690

SCHEMBL4055690

OC(=S)c1cc2c(s1)CCOc1ccc(Br)cc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
BLM P54132 1/20 0.36
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
GAA P10253 1/20 0.35
RAB9A P51151 1/20 0.35
KMT2A Q03164 1/20 0.35
PIK3CA P42336 3/20 0.34
PIK3CB P42338 3/20 0.34
PIK3CG P48736 3/20 0.34
PIK3CD O00329 1/20 0.34
CYP19A1 P11511 1/20 0.33
PRKCI P41743 1/20 0.33
APP P05067 3/20 0.32
NOTUM Q6P988 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL988982 0.87 NOTUM (0.39) LMNAMAPTHTTBLMMEN1
SCHEMBL991392 0.83 NOTUM (0.50) LMNAMAPTHTTBLMMEN1
SCHEMBL4109996 0.81 NOTUM (0.50) LMNAMAPTHTTBLMGAA
SCHEMBL989938 0.80 ALDH1A1 (0.41) LMNAMEN1NPC1GAARAB9A
SCHEMBL989368 0.78 ALDH1A1 (0.38) LMNAMAPTMEN1NPC1GAA
SCHEMBL989371 0.77 KDM4E (0.41) LMNAMAPTMEN1NPC1GAA
SCHEMBL1516838 0.76 SRD5A1 (0.38) LMNAMAPTHTTBLMGAA
SCHEMBL988065 0.73 THRB (0.42) LMNAMAPTMEN1NPC1GAA
SCHEMBL988659 0.69 NOTUM (0.53) LMNAMEN1GAAKMT2APIK3CA
SCHEMBL1484681 0.68 MAP3K14 (0.51) PIK3CD

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-2009123971-A1 BENZOPYRAN AND BENZOXEPIN PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-10-08 WO disclosed