SCHEMBL17508340

SCHEMBL17508340

O=Cc1ccccc1C(F)(F)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
THRB P10828 1/20 0.46
BLM P54132 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA5A P35218 1/20 0.39
CA9 Q16790 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
TRIM24 O15164 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
NFKB1 P19838 1/20 0.38
GAA P10253 1/20 0.37
PTPN1 P18031 1/20 0.36
MAOB P27338 2/20 0.36
HPGD P15428 1/20 0.35
HTT P42858 1/20 0.35

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
SCHEMBL6852237 0.87 MEN1 (0.41) LMNAKMT2AMEN1THRBBLM
SCHEMBL12004564 0.79 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL29417728 0.79 NFKB1 (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL67207 0.79 NFKB1 (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL17508341 0.77 LMNA (0.43) LMNAKMT2AMEN1THRBBLM
SCHEMBL10670263 0.76 LMNA (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL17508181 0.76 KMT2A (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL5350677 0.75 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL17103316 0.75 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL22620679 0.75 LMNA (0.50) 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
WO-2016019588-A1 OXACAZONE COMPOUNDS TO TREAT CLOSTRIDIUM DIFFICILE THE BROAD INSTITUTE, INC. (US) 2016-02-11 WO disclosed