SCHEMBL8008964

SCHEMBL8008964

COc1ccc2c(C)cc(-c3nc(C(C)C)cs3)nc2c1F

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.37
RAB9A P51151 4/20 0.37
MAPT P10636 4/20 0.37
KDM4E B2RXH2 3/20 0.37
LMNA P02545 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
TYK2 P29597 1/20 0.34
APLNR P35414 5/20 0.34
MEN1 O00255 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CTSS P25774 1/20 0.33
CYP1A1 P04798 3/20 0.32
CYP1B1 Q16678 3/20 0.32
CYP1A2 P05177 1/20 0.32
PLAU P00749 1/20 0.31
HTT P42858 1/20 0.31
GAA P10253 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
SCHEMBL883446 0.88 MAPT (0.38) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL314499 0.88 MAPT (0.35) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL8003749 0.88 NPC1 (0.37) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL8006684 0.82 NPC1 (0.37) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL8003707 0.81 RAB9A (0.36) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL8002647 0.81 APLNR (0.35) MAPTKDM4ETYK2APLNRALDH1A1
SCHEMBL7944203 0.80 CTSS (0.40) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL20021635 0.79 LMNA (0.34) LMNATYK2
SCHEMBL15483435 0.79 LMNA (0.36) NPC1RAB9AMAPTKDM4ELMNA
SCHEMBL13336763 0.78 CTSS (0.37) NPC1RAB9AMAPTKDM4ELMNA

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