SCHEMBL12819497

SCHEMBL12819497

O=C(O)c1cn(C2CC2)c2c3c(c(F)cc2c1=O)N1CCOC[C@H]1CC3

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.54
▸ ALDH1A1 P00352 4/20 0.51
▸ POLB P06746 3/20 0.51
▸ OPRM1 P35372 2/20 0.51
▸ CHRM2 P08172 1/20 0.51
▸ CHRM1 P11229 1/20 0.51
▸ OPRD1 P41143 1/20 0.51
▸ TOP2A P11388 5/20 0.48
▸ TOP2B Q02880 5/20 0.48
▸ KCNH2 Q12809 5/20 0.48
▸ KDM4E B2RXH2 4/20 0.47
▸ HPGD P15428 3/20 0.47
▸ HSD17B10 Q99714 3/20 0.47
▸ PRKD3 O94806 1/20 0.47
▸ ALOX15 P16050 1/20 0.47
▸ CLK2 P49760 1/20 0.47
▸ CLK4 Q9HAZ1 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ AADAT Q8N5Z0 2/20 0.46
▸ ALB P02768 1/20 0.44

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
SCHEMBL12825263 0.86 AADAT (0.54) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL116181 0.86 ALDH1A1 (0.52) LMNAALDH1A1POLBOPRM1CHRM2
SCHEMBL12819449 0.84 ALDH1A1 (0.50) ALDH1A1POLBOPRM1CHRM2CHRM1
SCHEMBL12819590 0.83 LMNA (0.54) LMNAALDH1A1POLBOPRM1CHRM2
SCHEMBL143404 0.82 LMNA (0.55) LMNAALDH1A1POLBOPRM1CHRM2
SCHEMBL116806 0.82 LMNA (0.55) LMNAALDH1A1POLBOPRM1CHRM2
SCHEMBL12825622 0.81 KDM4E (0.51) LMNAALDH1A1POLBOPRM1CHRM2
SCHEMBL10472818 0.81 KCNH2 (0.59) LMNAALDH1A1POLBOPRM1CHRM2
SCHEMBL12836652 0.81 ALDH1A1 (0.51) LMNAALDH1A1POLBOPRM1CHRM2
SCHEMBL12825636 0.81 ALDH1A1 (0.50) LMNAALDH1A1POLBOPRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011031744-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2011-03-17 — — WO disclosed
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