SCHEMBL17508341

SCHEMBL17508341

O=Cc1ccccc1C(F)(F)c1c(F)c(F)c(F)c(F)c1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
THRB P10828 1/20 0.43
BLM P54132 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
ALDH1A1 P00352 3/20 0.36
TSHR P16473 1/20 0.36
TRIM24 O15164 1/20 0.36
TRIM33 Q9UPN9 1/20 0.36
ERN1 O75460 3/20 0.36
NFKB1 P19838 1/20 0.36
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NFE2L2 Q16236 1/20 0.33
TNF P01375 1/20 0.33
IL6 P05231 1/20 0.33
GAA P10253 1/20 0.32
PIM1 P11309 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
SCHEMBL17508340 0.77 LMNA (0.46) LMNAKMT2AMEN1THRBBLM
SCHEMBL67207 0.76 NFKB1 (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL29417728 0.76 NFKB1 (0.57) LMNAKMT2AMEN1THRBBLM
SCHEMBL6852237 0.73 MEN1 (0.41) LMNAKMT2AMEN1THRBBLM
SCHEMBL29558672 0.72 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL5350677 0.72 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL28796222 0.72 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL17103316 0.72 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL22620679 0.72 LMNA (0.50) LMNAKMT2AMEN1THRBBLM
SCHEMBL20344754 0.72 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