SCHEMBL16675446

SCHEMBL16675446

CCOC(=O)c1cccnc1NC(=O)c1ccc(OC)c(OC)c1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.69
MAPT P10636 6/20 0.57
ALDH1A1 P00352 4/20 0.57
KDM4E B2RXH2 3/20 0.57
GAA P10253 2/20 0.57
HPGD P15428 1/20 0.57
TDP1 Q9NUW8 1/20 0.57
POLB P06746 3/20 0.56
LMNA P02545 4/20 0.55
NPSR1 Q6W5P4 1/20 0.55
HSD17B10 Q99714 1/20 0.55
MAPK1 P28482 2/20 0.53
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
ADORA3 P0DMS8 1/20 0.51
PKM P14618 1/20 0.50
PDE4D Q08499 1/20 0.50
CHEK1 O14757 1/20 0.50
PIM1 P11309 1/20 0.50

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
SCHEMBL18640752 0.82 HTT (1.00) HTTMAPTALDH1A1KDM4EGAA
SCHEMBL11442714 0.78 HPGD (0.59) HTTMAPTALDH1A1HPGDPOLB
SCHEMBL30772996 0.77 HTT (0.71) HTTMAPTALDH1A1KDM4ELMNA
SCHEMBL27345451 0.77 HTT (0.71) HTTMAPTALDH1A1KDM4ELMNA
SCHEMBL9502644 0.77 HTT (0.71) HTTMAPTALDH1A1KDM4EPOLB
SCHEMBL5946852 0.76 MAPT (0.60) HTTMAPTALDH1A1KDM4EGAA
SCHEMBL12478850 0.75 HTT (0.53) HTTALDH1A1KDM4EGAAHPGD
SCHEMBL28000002 0.74 HTT (0.67) HTTMAPTALDH1A1KDM4EHSD17B10
SCHEMBL30084823 0.73 RAB9A (0.55) MAPTALDH1A1KDM4EGAAHPGD
SCHEMBL2891499 0.73 RAB9A (0.55) MAPTALDH1A1KDM4EGAAHPGD

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-2015060378-A1 AMINOPYRIDINE DERIVATIVE AND AGRICULTURAL AND HORTICULTURAL FUNGICIDE 日本曹達株式会社 2015-04-30 WO disclosed