SCHEMBL27647906

SCHEMBL27647906

COc1cc(C#N)ccc1CONC(=O)c1nccnc1NCc1ccncc1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.45
EPHB4 P54760 1/20 0.41
FLT1 P17948 1/20 0.40
KDR P35968 1/20 0.40
PGK1 P00558 1/20 0.39
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
GSK3B P49841 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
TSHR P16473 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
CLK4 Q9HAZ1 1/20 0.37
SCN9A Q15858 1/20 0.36
POLB P06746 1/20 0.36
VNN1 O95497 2/20 0.36

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
SCHEMBL1715115 0.88 KDR (0.47) PDE5AFLT1KDR
SCHEMBL1715441 0.82 KDM4C (0.48) PDE5AEPHB4FLT1KDRKDM4E
SCHEMBL1715615 0.82 POLB (0.44) PDE5AEPHB4FLT1KDRALDH1A1
SCHEMBL1715211 0.81 KDR (0.47) PDE5AEPHB4FLT1KDR
SCHEMBL1715709 0.80 ALDH1A1 (0.42) PDE5AEPHB4FLT1KDRALDH1A1
SCHEMBL1714727 0.77 KDR (0.42) EPHB4FLT1KDRALDH1A1TSHR
SCHEMBL27668371 0.75 KDM4C (0.41) PDE5AEPHB4FLT1KDRALDH1A1
SCHEMBL1715778 0.75 KDR (0.53) FLT1KDR
SCHEMBL1714870 0.75 TSHR (0.46) PDE5AEPHB4FLT1KDRALDH1A1
SCHEMBL1714924 0.75 KDR (0.48) FLT1KDR

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-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN claimed
CN-1906155-A Novel hydroxamic acid esters and pharmaceutical use thereof LEO PHARMA AS (DK) 2007-01-31 CN disclosed