SCHEMBL8091409

SCHEMBL8091409

CCOC(=O)NC1CC=CC2CN(c3c(F)cc4c(=O)c(C(=O)O)cn(C5CC5F)c4c3F)CC21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
HSD17B10 Q99714 4/20 0.40
PMP22 Q01453 1/20 0.40
KCNH2 Q12809 6/20 0.39
ATM Q13315 1/20 0.37
POLB P06746 2/20 0.37
OPRM1 P35372 2/20 0.37
CHRM2 P08172 1/20 0.37
CHRM1 P11229 1/20 0.37
OPRD1 P41143 1/20 0.37
TOP2A P11388 1/20 0.36
TOP2B Q02880 1/20 0.36
PRKD3 O94806 1/20 0.36
ALOX15 P16050 1/20 0.36
CLK2 P49760 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
MEN1 O00255 1/20 0.36

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
SCHEMBL9043731 0.91 KDM4E (0.33) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9095828 0.91 KCNH2 (0.48) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8091231 0.89 KDM4E (0.40) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8084270 0.88 HSD17B10 (0.53) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL8092759 0.85 ALDH1A1 (0.54) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8090296 0.83 KDM4E (0.56) KDM4EALDH1A1HPGDHSD17B10POLB
Hydrochloric Acid SCHEMBL8089805 0.82 KCNH2 (0.43) KDM4EALDH1A1HPGDHSD17B10PMP22
SCHEMBL9048740 0.82 ADRB2 (0.40) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL8083017 0.82 ALDH1A1 (0.49) KDM4EALDH1A1HPGDHSD17B10KCNH2
SCHEMBL9044779 0.81 KDM4E (0.43) KDM4EALDH1A1HPGDHSD17B10PMP22

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-6018054-A INTERMEDIATE COMPOUNDS FOR PREPARING NOVEL QUINOLONE AND NAPHTHYRIDONE DERIVATIVES WHICH ARE SUBSTITUTED IN THE 7-POSITION BY A PARTIALLY HYDROGENATED ISOINDOLINYL RING, USE AS ANTIBACTERIAL AGENTS AND AS FEED ADDITIVES BAYER AKTIENGESELLSCHAFT (DE) 2000-01-25 US disclosed
US-5556979-A ANIMAL FEEDS BAYER AKTIENGESELLSCHAFT (DE) 1996-09-17 US disclosed