SCHEMBL12836620

SCHEMBL12836620

CCOC(=O)c1cn(C2CC2)c2c(O)c(F)ncc2c1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.50
STAT3 P40763 2/20 0.42
ELANE P08246 1/20 0.41
TOP2A P11388 5/20 0.40
TOP2B Q02880 5/20 0.40
KMT2A Q03164 1/20 0.39
KCNH2 Q12809 1/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 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
SCHEMBL12836412 0.88 ADRB2 (0.49) ADRB2STAT3ELANETOP2ATOP2B
SCHEMBL12836413 0.87 ADRB2 (0.48) ADRB2STAT3ELANETOP2ATOP2B
SCHEMBL7843532 0.84 ADRB2 (0.54) ADRB2STAT3ELANETOP2ATOP2B
SCHEMBL115123 0.83 ADRB2 (0.54) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL12835804 0.82 ADRB2 (0.44) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL8692136 0.82 ADRB2 (0.47) ADRB2STAT3ELANETOP2ATOP2B
SCHEMBL115991 0.82 ADRB2 (0.62) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL12836211 0.81 ADRB2 (0.48) ADRB2STAT3ELANETOP2ATOP2B
SCHEMBL2844967 0.78 ADRB2 (0.68) ADRB2STAT3TOP2ATOP2BKMT2A
SCHEMBL29492858 0.78 ADRB2 (0.68) ADRB2STAT3TOP2ATOP2BKMT2A

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-2011031745-A1 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2011-03-17 WO disclosed