SCHEMBL365191

SCHEMBL365191

COc1cc(O)cc2c1c(C(N)=O)c1ccccn12

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MKNK2 Q9HBH9 1/20 0.40
NPC1 O15118 2/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
MAPT P10636 4/20 0.38
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 1/20 0.38
LMNA P02545 1/20 0.38
PLA2G2A P14555 2/20 0.37
BAZ2B Q9UIF8 2/20 0.36
BAZ2A Q9UIF9 2/20 0.36
KCNA3 P22001 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
IDO1 P14902 1/20 0.36

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
SCHEMBL366076 0.88 CA12 (0.41) NPC1GAAATMRXFP1MAPT
SCHEMBL367765 0.87 NPC1 (0.43) MKNK2NPC1GAAATMRXFP1
SCHEMBL365272 0.85 CA12 (0.42) NPC1GAAATMRXFP1MAPT
SCHEMBL365020 0.85 BAZ2B (0.43) NPC1GAAATMRXFP1MAPT
SCHEMBL367759 0.82 STS (0.41) MKNK2NPC1GAAATMRXFP1
SCHEMBL366817 0.82 NPC1 (0.39) NPC1GAAATMRXFP1MAPT
SCHEMBL365489 0.80 KMT2A (0.36) MKNK2ALDH1A1MEN1KMT2ARAB9A
SCHEMBL367749 0.80 NPC1 (0.41) MKNK2NPC1GAAATMRXFP1
SCHEMBL367224 0.79 ALDH1A1 (0.43) MKNK2NPC1GAAATMRXFP1
SCHEMBL366074 0.77 POLB (0.33) MKNK2NPC1GAAATMRXFP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO claimed
WO-2012007008-A1 INHIBITORS OF HDME EPITHERAPEUTICS APS (DK) 2012-01-19 WO disclosed