SCHEMBL6827634

SCHEMBL6827634

COc1ccc(OC)c(NC(=O)NCC(C)(C)CC(=O)N(CC(=O)NO)CC2CCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 8/20 0.42
MEN1 O00255 6/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
GAA P10253 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6825114 0.94 NPC1 (0.46) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6822296 0.92 KMT2A (0.41) KMT2AMEN1RAB9AALDH1A1MAPT
SCHEMBL6822142 0.91 KMT2A (0.49) KMT2AMEN1GAANPSR1ALDH1A1
SCHEMBL6825402 0.89 ALDH1A1 (0.49) KMT2AMEN1GAANPSR1ALDH1A1
SCHEMBL6822283 0.89 TDP1 (0.43) KMT2AMEN1L3MBTL1ALDH1A1MAPT
SCHEMBL6822411 0.87 TDP1 (0.45) KMT2AMEN1L3MBTL1ALDH1A1SMN1; SMN2
SCHEMBL6825607 0.86 SMN1; SMN2 (0.38) KMT2AMEN1L3MBTL1GAANPSR1
SCHEMBL7066677 0.84 SMN1; SMN2 (0.38) KMT2AMEN1L3MBTL1GAANPSR1
SCHEMBL6825473 0.83 HDAC6 (0.48) KMT2AMEN1L3MBTL1NPC1RAB9A
SCHEMBL6825496 0.82 ALDH1A1 (0.49) KMT2AMEN1GAANPSR1ALDH1A1

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-2004087643-A1 DEFORMYLASE INHIBITOR, PROCESS FOR PREPARING THE SAME, AND ANTIBACTERIAL COMPOSITION COMPRISING THE SAME PROMEDITECH INC. (KR) 2004-10-14 WO claimed