SCHEMBL28814162

SCHEMBL28814162

COC(=O)c1ccccc1N(C)C1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 8/20 0.50
KDM4E B2RXH2 6/20 0.50
HSD17B10 Q99714 3/20 0.50
NPSR1 Q6W5P4 2/20 0.50
HPGD P15428 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.47
TSHR P16473 4/20 0.46
RECQL P46063 1/20 0.46
MAPT P10636 1/20 0.46
LMNA P02545 2/20 0.45
ABCC1 P33527 1/20 0.44
CFTR P13569 1/20 0.44
POLB P06746 2/20 0.43
GAA P10253 1/20 0.43
ALOX12 P18054 1/20 0.43
ATM Q13315 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL5861683 0.87 KMT2A (0.50) KMT2AALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL15710904 0.87 ALDH1A1 (0.44) KMT2AALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL13468097 0.86 ALDH1A1 (0.43) KMT2AALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL13280139 0.83 KMT2A (0.43) KMT2AALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL5859715 0.80 KDM4E (0.57) KMT2AKDM4EHSD17B10POLB
SCHEMBL27588091 0.79 HPGD (0.67) KMT2AALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL31535354 0.78 OPRK1 (0.44) KMT2AALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL27587960 0.78 HPGD (0.65) KMT2AALDH1A1NPSR1HPGDSMN1; SMN2
SCHEMBL25223224 0.77 KMT2A (0.63) KMT2AALDH1A1KDM4EHSD17B10NPSR1
SCHEMBL4444645 0.77 KMT2A (0.67) KMT2AALDH1A1KDM4EHSD17B10NPSR1

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
CN-104066718-A Substituted benzene compounds EPIZYME INC 2014-09-24 CN disclosed