SCHEMBL10285192

SCHEMBL10285192

BCCCSc1ccccc1C=O

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
TSHR P16473 1/20 0.35
TRIM24 O15164 1/20 0.35
TRIM33 Q9UPN9 1/20 0.35
PTGS2 P35354 9/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.31
GAA P10253 1/20 0.31

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
SCHEMBL8595709 0.82 PTGS2 (0.51) LMNAKMT2AMEN1THRBBLM
SCHEMBL6765848 0.81 PTGS2 (0.51) LMNAKMT2AMEN1THRBBLM
SCHEMBL7384646 0.81 LMNA (0.40) LMNAKMT2AMEN1THRBBLM
SCHEMBL11434977 0.79 PTGS2 (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL7721146 0.79 PTGS2 (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL11443812 0.79 PTGS2 (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL9428564 0.79 PTGS2 (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL9560125 0.79 PTGS2 (0.52) LMNAKMT2AMEN1THRBBLM
SCHEMBL9428247 0.79 HDAC1 (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL9428037 0.79 PTGS2 (0.52) LMNAKMT2AMEN1THRBBLM

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
EP-2468743-A1 Nitrogen-containing bicyclic compounds useful as antibacterial agents Toyama Chemical Co., Ltd. (JP) 2012-06-27 EP disclosed