SCHEMBL12835798

SCHEMBL12835798

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

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.35
ADORA1 P30542 1/20 0.35
LMNA P02545 1/20 0.34
ADRB2 P07550 1/20 0.31
PIM1 P11309 1/20 0.31
GSK3A P49840 1/20 0.31
GSK3B P49841 1/20 0.31
PIM3 Q86V86 1/20 0.31
CSNK1G1 Q9HCP0 1/20 0.31
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
HPGD P15428 2/20 0.31
HSD17B10 Q99714 2/20 0.31
KMT2A Q03164 1/20 0.30
F11 P03951 1/20 0.30
ALOX15 P16050 1/20 0.30
TSHR P16473 1/20 0.30
CASP1 P29466 1/20 0.30

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 0.85 STAT3 (0.44) STAT3LMNAADRB2PIM1GSK3A
SCHEMBL12835792 0.82 STAT3 (0.42) STAT3LMNAADRB2PIM1GSK3A
SCHEMBL1516285 0.81 ADORA1 (0.36) STAT3ADORA1ADRB2PIM1GSK3A
SCHEMBL12836206 0.81 KMT2A (0.39) STAT3LMNAADRB2PIM1GSK3A
SCHEMBL12835793 0.81 STAT3 (0.38) STAT3LMNAADRB2PIM1GSK3A
SCHEMBL9782871 0.81 STAT3 (0.39) STAT3LMNAADRB2PIM1GSK3A
SCHEMBL12836216 0.79 ADORA1 (0.37) STAT3ADORA1KDM4EALDH1A1HPGD
SCHEMBL9568366 0.77 MAPT (0.40) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL9568299 0.77 MAPT (0.40) LMNAKDM4EALDH1A1HPGDKMT2A
SCHEMBL1699779 0.75 LMNA (0.47) LMNAPIM1GSK3AGSK3BPIM3

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