SCHEMBL5802126

SCHEMBL5802126

COc1c(N2CCC(C(NC(N)(C3CCN(c4c(F)cc5c(=O)n(N)c(=O)n(C6CC6)c5c4OC)C3)C(C)(C)C#N)C(C)(C)C#N)C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.36
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
CACNA1C Q13936 1/20 0.32
SCN5A Q14524 1/20 0.32
POLB P06746 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PRKD3 O94806 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
ALOX15 P16050 1/20 0.30
OPRM1 P35372 1/20 0.30
CLK2 P49760 1/20 0.30
HSD17B10 Q99714 1/20 0.30
CLK4 Q9HAZ1 1/20 0.30
TDP1 Q9NUW8 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
SCHEMBL5799414 0.92 KCNH2 (0.37) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5799406 0.91 KCNH2 (0.34) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5460769 0.84 KCNH2 (0.43) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5465286 0.83 KCNH2 (0.42) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5799793 0.83
SCHEMBL5456629 0.81 KCNH2 (0.47) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5466746 0.81 KCNH2 (0.47) KCNH2CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL5798140 0.78 KCNH2 (0.36) KCNH2
SCHEMBL6670392 0.77 KCNH2 (0.43) KCNH2POLBKDM4EPRKD3ALDH1A1
SCHEMBL6670298 0.77 KCNH2 (0.43) KCNH2POLBKDM4EPRKD3ALDH1A1

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 4 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 claimed
WO-2005049605-A1 ANTIBACTERIAL AMINOQUINAZOLIDINEDIONE DERIVATIVES WARNER-LAMBERT COMPANY LLC (US) 2005-06-02 WO claimed
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