SCHEMBL12835792

SCHEMBL12835792

CCOC(=O)c1c2n(c3c(O)c(F)c(F)cc3c1=O)C(C)S2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.42
LMNA P02545 1/20 0.37
PTPN11 Q06124 1/20 0.35
ADRB2 P07550 1/20 0.35
KDM4E B2RXH2 4/20 0.34
ALDH1A1 P00352 4/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
KMT2A Q03164 1/20 0.34
NR1H2 P55055 1/20 0.34
NR1H3 Q13133 1/20 0.34
ALOX5 P09917 1/20 0.33
HTT P42858 1/20 0.33
PIM1 P11309 1/20 0.33
GSK3A P49840 1/20 0.33
GSK3B P49841 1/20 0.33
PIM3 Q86V86 1/20 0.33

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
SCHEMBL9673380 0.92 STAT3 (0.44) STAT3LMNAADRB2KDM4EALDH1A1
SCHEMBL9782871 0.88 STAT3 (0.39) STAT3LMNAADRB2KDM4EALDH1A1
SCHEMBL12836206 0.87 KMT2A (0.39) STAT3LMNAADRB2KDM4EALDH1A1
SCHEMBL12835793 0.87 STAT3 (0.38) STAT3LMNAADRB2KDM4EALDH1A1
SCHEMBL1699779 0.82 LMNA (0.47) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9568366 0.82 MAPT (0.40) LMNAKDM4EALDH1A1HPGDTSHR
SCHEMBL12835798 0.82 STAT3 (0.35) STAT3LMNAADRB2KDM4EALDH1A1
SCHEMBL9673019 0.81 KDM4E (0.46) LMNAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9672976 0.81 KDM4E (0.44) STAT3LMNAADRB2KDM4EALDH1A1
SCHEMBL9674400 0.81 PIM1 (0.42) STAT3LMNAKDM4EALDH1A1HPGD

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