SCHEMBL6670571

SCHEMBL6670571

COc1ccc(CCC(C)Nc2cc(CN3CCOCC3)cc3c(=O)c(C(=O)N(C)Cc4ccc(Cl)cc4)n[nH]c23)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
ENPP2 Q13822 4/20 0.38
KCNH2 Q12809 2/20 0.37
TSHR P16473 1/20 0.37
HIF1A Q16665 1/20 0.37
EPAS1 Q99814 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36
TMPRSS11D O60235 2/20 0.36
CTRL P40313 2/20 0.36
ACP1 P24666 1/20 0.35
FLT3 P36888 1/20 0.35
PDE1B Q01064 1/20 0.35
AURKA O14965 1/20 0.35
JAK2 O60674 1/20 0.35
JAK3 P52333 1/20 0.35

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
SCHEMBL6667470 0.81 INSR (0.39) ENPP2KCNH2
SCHEMBL6670577 0.78 TSHR (0.47) KDM4EENPP2KCNH2TSHRHIF1A
SCHEMBL6668180 0.77 TSHR (0.49) KDM4EENPP2KCNH2TSHRHIF1A
SCHEMBL6667754 0.77 AKR1C3 (0.39) ENPP2KCNH2PDE1B
SCHEMBL6667774 0.76 CHEK1 (0.46) KDM4EKCNH2PDE1BJAK2
SCHEMBL7472513 0.76 AKR1C3 (0.36) ENPP2KCNH2SMN1; SMN2PDE1B
SCHEMBL7007040 0.76 PDE1B (0.45) ENPP2KCNH2HIF1AEPAS1SMN1; SMN2
SCHEMBL7478855 0.75 POLA1 (0.39) ENPP2KCNH2PDE1B
SCHEMBL6669285 0.74 POLA1 (0.35) KDM4EENPP2KCNH2SMN1; SMN2
SCHEMBL7475511 0.72 NR1H4 (0.38) KCNH2

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-2004019940-A1 METHOD OF PREVENTING OR TREATING ATHEROSCLEROSIS OR RESTENOSIS PHARMACIA & UPJOHN COMPANY (US) 2004-03-11 WO claimed