SCHEMBL8922989

SCHEMBL8922989

CC(C)(C)OC(=O)NCC12CN(c3c(F)c(F)c4c(=O)c(C(=O)O)cn(C5CC5)c4c3F)CC1CCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
KCNH2 Q12809 5/20 0.44
POLB P06746 2/20 0.44
CACNA1F O60840 1/20 0.44
MAPK1 P28482 1/20 0.44
CACNA1D Q01668 1/20 0.44
CACNA1S Q13698 1/20 0.44
CACNA1C Q13936 1/20 0.44
TOP2A P11388 2/20 0.40
TOP2B Q02880 2/20 0.40
GSK3B P49841 9/20 0.39
KDM4E B2RXH2 1/20 0.35
PRKD3 O94806 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
OPRM1 P35372 1/20 0.35
CLK2 P49760 1/20 0.35
HSD17B10 Q99714 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
SCHEMBL8924239 0.94 CACNA1F (0.52) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8851756 0.92 MEN1 (0.42) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL9207351 0.90 MEN1 (0.39) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL7846924 0.88 KCNH2 (0.46) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL7846922 0.88 KCNH2 (0.46) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL7494366 0.88 KCNH2 (0.46) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL7836509 0.88 KCNH2 (0.46) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL7836504 0.88 KCNH2 (0.46) MEN1KMT2AKCNH2POLBTOP2A
SCHEMBL7494469 0.88 GSK3B (0.46) MEN1KMT2AKCNH2POLBCACNA1F
SCHEMBL8922822 0.85 ALDH1A1 (0.51) MEN1KMT2AKCNH2POLBGSK3B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5621105-A REACTING HALO-SUBSTITUTED QUINOLONECARBOXYLIC ACID OR NAPHTHYRIDONECARBOXYLIC ACID WITH 1-AMINOMETHYL-2-OXA-7-AZABICYCLO/3.3.0/OCTANE BAYER AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed
US-5574161-A GRAMPOSITIVE BACTERICIDE BAYER AKTIENGESELLSCHAFT (DE) 1996-11-12 US disclosed
EP-0589318-B1 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1995-11-15 EP disclosed
US-5395944-A Bactericides BAYER AKTIENGESELLSCHAFT (DE) 1995-03-07 US disclosed
EP-0589318-A2 Antibacterial 7-(aminomethyl-oxa-7-azabicyclo(3.3.0)oct-7-yl)quinolone- and -naphthyridonecarboxylic acid derivatives BAYER AG (DE) 1994-03-30 EP disclosed