SCHEMBL27742014

SCHEMBL27742014

CC(CO)NC(=O)[C@H](C)n1ccnc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.41
KMT2A Q03164 2/20 0.39
TBXA2R P21731 1/20 0.37
ALDH1A1 P00352 1/20 0.35
MAPT P10636 1/20 0.35
PKM P14618 1/20 0.35
HPGD P15428 1/20 0.35
ALOX12 P18054 1/20 0.35
HTT P42858 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP26A1 O43174 3/20 0.34
CNR1 P21554 2/20 0.33

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
SCHEMBL27742016 1.00 KDM4E (0.41) KDM4EKMT2ATBXA2RALDH1A1MAPT
SCHEMBL27742015 0.82 KDM4E (0.38) KDM4EKMT2AALDH1A1MAPTPKM
SCHEMBL27742013 0.82 KDM4E (0.38) KDM4EKMT2AALDH1A1MAPTPKM
SCHEMBL27721145 0.79 KDM4E (0.42) KDM4EKMT2ATBXA2RALDH1A1MAPT
SCHEMBL27721146 0.79 KDM4E (0.42) KDM4EKMT2ATBXA2RALDH1A1MAPT
SCHEMBL20518716 0.77 KDM4E (0.41) KDM4EKMT2ATBXA2RALDH1A1MAPT
SCHEMBL20518717 0.77 KDM4E (0.41) KDM4EKMT2ATBXA2RALDH1A1MAPT
SCHEMBL27721143 0.75 KDM4E (0.41) KDM4EKMT2ATBXA2RALDH1A1MAPT
SCHEMBL27721142 0.75 KDM4E (0.41) KDM4EKMT2ATBXA2RALDH1A1MAPT
SCHEMBL9913350 0.74 TBXAS1 (0.34) KDM4EKMT2AALDH1A1

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
CN-101284816-B Chiral N-2-(glyoxaline-1-group) fatty acid amide and method for preparing same JINZHONG UNIVERSITY 2010-08-18 CN disclosed
CN-101284816-A Chiral N-2-(glyoxaline-1-group) fatty acid amide and method for preparing same JINZHONG UNIVERSITY (CN) 2008-10-15 CN disclosed