SCHEMBL4183205

SCHEMBL4183205

COc1ccc2c(O)cc(-c3c[nH]nc3CC(C)C)nc2c1C

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.33
USP2 O75604 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PDE10A Q9Y233 2/20 0.33
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
POLB P06746 1/20 0.32
GAA P10253 1/20 0.32
ALOX15 P16050 2/20 0.32
ALOX12 P18054 2/20 0.32
TRPM8 Q7Z2W7 1/20 0.31
RAD52 P43351 1/20 0.31
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL4191730 0.90 SLC10A2 (0.33) MEN1KMT2APOLBGAARAD52
SCHEMBL4182845 0.88 MAPT (0.34) KDM4EHPGDHSD17B10PDE10AMEN1
SCHEMBL4177976 0.87 KMT2A (0.31) KDM4EPDE10AKMT2AGAATRPM8
SCHEMBL4178311 0.86 PDE10A (0.35) KDM4EHPGDHSD17B10PDE10AMEN1
SCHEMBL4178062 0.83 PDE4A (0.34) KDM4EHPGDPOLBGAA
SCHEMBL4187144 0.78 ALDH1A1 (0.38) KDM4EHSD17B10KMT2ARAD52MAPT
SCHEMBL4177972 0.77 SLC10A2 (0.33) KDM4EKMT2AGAARAD52
SCHEMBL4185269 0.75 KDM4E (0.34) KDM4EUSP2HPGDHSD17B10MEN1
SCHEMBL4189834 0.73 MAPK1 (0.37) KDM4EHPGDHSD17B10MEN1KMT2A
SCHEMBL13226974 0.73 RAC1 (0.32) KDM4EMEN1KMT2AGAANPC1

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-2009014730-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2009-01-29 WO disclosed