SCHEMBL17012010

SCHEMBL17012010

CCOC(=O)N1CCC(NC(=O)c2cccc(NC(=O)O)n2)CC1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
HSD17B10 Q99714 3/20 0.58
KMT2A Q03164 3/20 0.56
MEN1 O00255 2/20 0.56
HPGD P15428 3/20 0.55
NOS2 P35228 1/20 0.55
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
CHRM2 P08172 1/20 0.52
CHRM5 P08912 1/20 0.52
CHRM3 P20309 1/20 0.52
LMNA P02545 1/20 0.52
GAA P10253 1/20 0.52
MAPK1 P28482 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
RAB9A P51151 1/20 0.50
NPC1 O15118 1/20 0.49
MAPT P10636 1/20 0.49
ATM Q13315 1/20 0.49

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
SCHEMBL8201484 0.93 KDM4E (0.57) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL8208762 0.93 KDM4E (0.57) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL12853598 0.85 NOS2 (0.67) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL8212461 0.84 KDM4E (0.60) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL12855299 0.84 KDM4E (0.60) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL8208090 0.83 KDM4E (0.59) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL12853603 0.83 MEN1 (0.55) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL8206868 0.83 KDM4E (0.58) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL12853586 0.82 ALDH1A1 (0.51) KDM4EHSD17B10KMT2AMEN1HPGD
SCHEMBL8206380 0.82 KDM4E (0.51) KDM4EHSD17B10KMT2AMEN1HPGD

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
EP-2132178-B1 JNK INHIBITORS MERCK SHARP & DOHME (US) 2015-08-19 EP disclosed