SCHEMBL8089783

SCHEMBL8089783

CCOC(=O)NC1CC=CC2CN(c3c(F)c(F)c4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)CC21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
KCNH2 Q12809 6/20 0.49
POLB P06746 2/20 0.49
CACNA1F O60840 1/20 0.49
MAPK1 P28482 1/20 0.49
CACNA1D Q01668 1/20 0.49
CACNA1S Q13698 1/20 0.49
CACNA1C Q13936 1/20 0.49
TOP2A P11388 2/20 0.44
TOP2B Q02880 2/20 0.44
GSK3B P49841 7/20 0.41
KDM4E B2RXH2 1/20 0.38
PRKD3 O94806 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
ALOX15 P16050 1/20 0.38
OPRM1 P35372 1/20 0.38
CLK2 P49760 1/20 0.38
HSD17B10 Q99714 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
SCHEMBL9095828 0.89 KCNH2 (0.48) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL9046294 0.89 MEN1 (0.42) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8092759 0.86 ALDH1A1 (0.54) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL8083134 0.85 KCNH2 (0.42) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8092868 0.81 KDM4E (0.55) TOP2ATOP2BKDM4EALDH1A1HPGD
SCHEMBL9096542 0.81 KCNH2 (0.42) MEN1KMT2AKCNH2POLBGSK3B
SCHEMBL9048740 0.80 ADRB2 (0.40) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL8091409 0.80 KDM4E (0.40) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL8083110 0.80 DPP4 (0.52) KCNH2POLBGSK3BKDM4EALDH1A1
SCHEMBL8084270 0.80 HSD17B10 (0.53) MEN1KMT2AKCNH2KDM4EALDH1A1

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