SCHEMBL8181758

SCHEMBL8181758

COc1c(N2CC(N)C3OCCC32)c(F)cc2c(=O)c(C(=O)O)cn(C3CC3)c12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 5/20 0.60
KDM4E B2RXH2 9/20 0.59
ALDH1A1 P00352 5/20 0.59
HPGD P15428 4/20 0.59
POLB P06746 3/20 0.59
HSD17B10 Q99714 2/20 0.59
OPRM1 P35372 2/20 0.59
TDP1 Q9NUW8 2/20 0.59
PRKD3 O94806 1/20 0.59
ALOX15 P16050 1/20 0.59
CLK2 P49760 1/20 0.59
CLK4 Q9HAZ1 1/20 0.59
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
LMNA P02545 2/20 0.54
CYP2C19 P33261 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
OPRD1 P41143 1/20 0.50

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
SCHEMBL7847437 1.00 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8181763 1.00 KCNH2 (0.60) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7836117 0.92 KCNH2 (0.61) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8181676 0.92 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7836068 0.92 KCNH2 (0.51) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8177721 0.90 KCNH2 (0.64) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7844377 0.90 KCNH2 (0.59) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7847582 0.88 KCNH2 (0.58) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL8176731 0.88 KDM4E (0.59) KCNH2KDM4EALDH1A1HPGDPOLB
SCHEMBL7853440 0.88 KDM4E (0.59) KCNH2KDM4EALDH1A1HPGDPOLB

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
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