SCHEMBL30908404

SCHEMBL30908404

COC(=O)c1cnc(C2CCOCC2)nc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.42
HDAC3 O15379 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
HPGDS O60760 2/20 0.40
ALOX15 P16050 1/20 0.40
MGLL Q99685 1/20 0.40
OPRK1 P41145 1/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
LRRK2 Q5S007 1/20 0.38
OPRL1 P41146 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
SCHEMBL25953861 0.89 MAPK1 (0.49) MAPK1KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL24933715 0.89 MAPK1 (0.49) MAPK1KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL12791697 0.85 MAPK1 (0.46) MAPK1KDM4EL3MBTL1ALDH1A1HSD17B10
SCHEMBL4636166 0.84 MAPK1 (0.45) MAPK1HDAC3HDAC1HDAC2HDAC6
SCHEMBL27810918 0.81 ALDH1A1 (0.45) MAPK1KDM4EL3MBTL1ALDH1A1HPGD
SCHEMBL64188 0.81 PLAT (0.43) MAPK1KDM4EL3MBTL1ALDH1A1HPGDS
SCHEMBL63803 0.80 MAPK1 (0.41) MAPK1KDM4EL3MBTL1HPGDOPRK1
SCHEMBL2636813 0.76 MAPK1 (0.41) MAPK1KDM4EL3MBTL1
SCHEMBL30908584 0.75 MAPK1 (0.42) MAPK1KDM4EL3MBTL1ALDH1A1NPC1
SCHEMBL31705854 0.75 ATM (0.50) MAPK1ALDH1A1HPGDHSD17B10ALOX15

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-2024074611-A1 PRMT5 INHIBITORS Ryvu Therapeutics S.A. (PL) 2024-04-11 WO disclosed