SCHEMBL5801073

SCHEMBL5801073

CCN(C(CC#N)CCC#N)C1(C2CN(c3c(F)cc4c(=O)[nH]c(=O)n(C5CC5)c4c3OC)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.37
KDM4E B2RXH2 3/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
HSD17B10 Q99714 2/20 0.34
POLB P06746 1/20 0.34
PRKD3 O94806 1/20 0.34
ALOX15 P16050 1/20 0.34
OPRM1 P35372 1/20 0.34
CLK2 P49760 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
JAK3 P52333 1/20 0.31
TOP1 P11387 2/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL5459018 0.87 KCNH2 (0.35) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5466318 0.85 KCNH2 (0.35) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5455471 0.83 KCNH2 (0.39) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5465212 0.81 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5462271 0.80 JAK2 (0.36) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5460712 0.80 KCNH2 (0.49) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5457673 0.78 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5458074 0.78 KCNH2 (0.38) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5459785 0.77 KCNH2 (0.43) KCNH2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL5458160 0.77 KCNH2 (0.44) KCNH2KDM4EALDH1A1HPGDHSD17B10

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
EP-1687296-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES Warner-Lambert Company LLC (US) 2006-08-09 EP disclosed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO disclosed