SCHEMBL5798992

SCHEMBL5798992

COc1c(N2CC3CCC(NC(CC#N)C(C#N)CNC4CCC5CN(c6c(F)cc7c(=O)[nH]c(=O)n(C8CC8)c7c6C)CC54)C3C2)c(F)cc2c(=O)[nH]c(=O)n(C3CC3)c12

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
KCNH2 Q12809 2/20 0.31

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
SCHEMBL5469171 0.82 KDM4E (0.35) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL5459818 0.80 KCNH2 (0.39) KCNH2
SCHEMBL5455435 0.71 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL5460712 0.71 KCNH2 (0.49) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL5460137 0.71 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL5453103 0.71 KCNH2 (0.39) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL6672872 0.69 KCNH2 (0.36) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL5465077 0.69 KCNH2 (0.45) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL7099308 0.69 KDM4E (0.40) KDM4EMEN1ALDH1A1HPGDKMT2A
SCHEMBL5456782 0.69 KCNH2 (0.34) KDM4EMEN1ALDH1A1HPGDKMT2A

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