SCHEMBL8005202

SCHEMBL8005202

COc1ccc2c(C)cc(-c3csc(C(C)C)n3)nc2c1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.37
NPC1 O15118 5/20 0.37
MAPT P10636 5/20 0.37
KDM4E B2RXH2 4/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
LMNA P02545 2/20 0.37
NPSR1 Q6W5P4 1/20 0.37
MEN1 O00255 5/20 0.35
KMT2A Q03164 5/20 0.35
ALDH1A1 P00352 4/20 0.34
HSD17B10 Q99714 2/20 0.34
HPGD P15428 1/20 0.34
TSHR P16473 1/20 0.34
CYP1A1 P04798 2/20 0.33
CYP1B1 Q16678 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GAA P10253 2/20 0.32
RECQL P46063 1/20 0.32
GFER P55789 1/20 0.32
PIK3CD O00329 1/20 0.32

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
SCHEMBL8011476 0.88 MEN1 (0.36) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL8009928 0.88 MAPT (0.38) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL8003707 0.88 RAB9A (0.36) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL7996164 0.81 RAB9A (0.37) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL883446 0.80 MAPT (0.38) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL15216113 0.79 KDM4E (0.42) MAPTKDM4EL3MBTL1LMNANPSR1
SCHEMBL11951314 0.78 ALDH1A1 (0.37) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL1952194 0.77 ALDH1A1 (0.36) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL577448 0.77 KDM4E (0.32) RAB9ANPC1MAPTKDM4EL3MBTL1
SCHEMBL313502 0.75 ALDH1A1 (0.35) RAB9ANPC1MAPTKDM4EL3MBTL1

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-2009099596-A2 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARAMACEUTICALS, INC. (US) 2009-08-13 WO disclosed