SCHEMBL13625783

SCHEMBL13625783

CCOC(=O)c1cn(C2CC2)c2c(/C=C\C[C@@H]3CCCN3C(=O)OC(C)(C)C)c(F)c(F)cc2c1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.46
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
STAT3 P40763 1/20 0.38
TOP2A P11388 4/20 0.36
TOP2B Q02880 4/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 4/20 0.36
HPGD P15428 4/20 0.36
HSD17B10 Q99714 4/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
TSHR P16473 1/20 0.36
KCNH2 Q12809 3/20 0.35
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34

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
SCHEMBL141426 0.89 ADRB2 (0.45) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL149073 0.89 ADRB2 (0.45) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL116323 0.89 ADRB2 (0.45) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL145085 0.88 ADRB2 (0.46) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL146707 0.88 ADRB2 (0.46) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL178720 0.86 ADRB2 (0.49) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL144356 0.86 ADRB2 (0.44) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL144925 0.86 ADRB2 (0.44) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL143930 0.86 ADRB2 (0.44) ADRB2KMT2AMEN1STAT3TOP2A
SCHEMBL144893 0.86 ADRB2 (0.44) ADRB2KMT2AMEN1STAT3TOP2A

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-2009137130-A2 ANTIBACTERIAL FLUOROQUINOLONE ANALOGS ACHAOGEN, INC. (US) 2009-11-12 WO disclosed