SCHEMBL8004058

SCHEMBL8004058

COc1nc(N)c(C)cc1C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.38
KDM4E B2RXH2 3/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
NOS3 P29474 1/20 0.37
NOS1 P29475 1/20 0.37
NOS2 P35228 1/20 0.37
RECQL P46063 2/20 0.36
CCNA2 P20248 1/20 0.34
CDK2 P24941 1/20 0.34
CCNA1 P78396 1/20 0.34
DHFR P00374 3/20 0.33
TLR8 Q9NR97 1/20 0.33
CYP3A4 P08684 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 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
SCHEMBL21372397 0.84 CYP3A4 (0.37) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL577111 0.83 RECQL (0.42) POLBKMT2AMEN1ALDH1A1RECQL
SCHEMBL8000890 0.81 POLB (0.36) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL20355369 0.81 PIK3CA (0.37) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8007192 0.81 GSK3A (0.40) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL8004061 0.81 POLB (0.35) POLBKDM4EKMT2AMEN1ALDH1A1
SCHEMBL3220307 0.77 NOS3 (0.48) KDM4EALDH1A1NOS3NOS1NOS2
SCHEMBL15339519 0.76 RECQL (0.38) POLBKMT2AMEN1ALDH1A1NOS3
SCHEMBL1674658 0.76 PIK3CA (0.37) POLBALDH1A1NOS3NOS1NOS2
SCHEMBL31345511 0.76 PIK3CA (0.37) POLBALDH1A1NOS3NOS1NOS2

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-2009104729-A1 AMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME 大日本住友製薬株式会社 (JP) 2009-08-27 WO disclosed