SCHEMBL367759

SCHEMBL367759

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 5/20 0.41
MKNK2 Q9HBH9 1/20 0.39
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
NPC1 O15118 2/20 0.35
GAA P10253 1/20 0.35
ATM Q13315 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
IDO1 P14902 1/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 3/20 0.35
HSD17B10 Q99714 1/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
APAF1 O14727 1/20 0.35
G6PD P11413 1/20 0.35
PABPC1 P11940 1/20 0.35
CACNA1B Q00975 1/20 0.35

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
SCHEMBL366019 0.91 STS (0.41) STSCA1CA2CA9NPC1
SCHEMBL366074 0.87 POLB (0.33) MKNK2NPC1GAAATMRXFP1
SCHEMBL365406 0.86 STS (0.39) STSCA1CA2CA9KDM4E
SCHEMBL365489 0.82 KMT2A (0.36) MKNK2ALDH1A1MEN1KMT2A
SCHEMBL367765 0.82 NPC1 (0.43) MKNK2NPC1GAAATMRXFP1
SCHEMBL365191 0.82 MKNK2 (0.40) MKNK2NPC1GAAATMRXFP1
SCHEMBL367224 0.81 ALDH1A1 (0.43) MKNK2NPC1GAAATMRXFP1
SCHEMBL365020 0.80 BAZ2B (0.43) NPC1GAAATMRXFP1KDM4E
SCHEMBL365272 0.80 CA12 (0.42) CA1CA2CA9NPC1GAA
SCHEMBL367236 0.78 TSHR (0.47) NPC1GAAKDM4EHSD17B10MEN1

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