SCHEMBL7844985

SCHEMBL7844985

C=Cn1cc(C(=O)O)c(=O)c2cc(F)c(N3CC(N)C4OCCC43)c(OC)c21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.46
KDM4E B2RXH2 7/20 0.44
HPGD P15428 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.44
OPRM1 P35372 2/20 0.44
PRKD3 O94806 1/20 0.44
ALOX15 P16050 1/20 0.44
CLK2 P49760 1/20 0.44
CLK4 Q9HAZ1 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TOP1 P11387 6/20 0.44
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.41
CYP2C19 P33261 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL8181763 0.88 KCNH2 (0.60) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7847437 0.88 KCNH2 (0.60) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8181758 0.88 KCNH2 (0.60) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7848976 0.87 KCNH2 (0.46) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7836068 0.86 KCNH2 (0.51) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8181676 0.86 KCNH2 (0.51) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7836117 0.80 KCNH2 (0.61) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7844377 0.79 KCNH2 (0.59) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL8177721 0.78 KCNH2 (0.64) KCNH2KDM4EHPGDALDH1A1HSD17B10
SCHEMBL7843312 0.78 KDM4E (0.57) KCNH2KDM4EHPGDALDH1A1HSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0911336-B1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO (JP) 2001-11-28 EP disclosed
US-6017911-A BACTERICIDES DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 2000-01-25 US disclosed
EP-0911336-A1 PYRIDONECARBOXYLIC ACID DERIVATIVES AND INTERMEDIATES FOR THE SYNTHESIS THEREOF DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-04-28 EP disclosed