SCHEMBL28469736

SCHEMBL28469736

O=Cc1ccc(-c2ccccc2)c(C=O)c1C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
RAB9A P51151 2/20 0.35
LMNA P02545 2/20 0.34
THRB P10828 1/20 0.34
BLM P54132 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ERN1 O75460 6/20 0.34
NPC1 O15118 1/20 0.33
KIF11 P52732 1/20 0.33
MET P08581 1/20 0.32
TOP1 P11387 1/20 0.31
PTGS2 P35354 1/20 0.31
ALDH1A1 P00352 1/20 0.31
BACE1 P56817 1/20 0.31
TACR1 P25103 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
SCHEMBL28470496 0.88 KMT2A (0.36) MEN1KMT2ARAB9ALMNATHRB
SCHEMBL6535912 0.83 MEN1 (0.38) MEN1KMT2ARAB9AERN1KIF11
SCHEMBL27880998 0.82 BACE1 (0.38) MEN1KMT2ARAB9ALMNAERN1
SCHEMBL4037060 0.81 LMNA (0.43) MEN1KMT2ARAB9ALMNATHRB
SCHEMBL31493165 0.78 KMT2A (0.42) MEN1KMT2ARAB9ALMNATHRB
SCHEMBL547760 0.78 KMT2A (0.42) MEN1KMT2ARAB9ALMNATHRB
SCHEMBL28338084 0.75 MEN1 (0.46) MEN1KMT2ARAB9ALMNATHRB
SCHEMBL28260284 0.73 TDP1 (0.41) MEN1KMT2ALMNATHRBBLM
SCHEMBL6536407 0.72 HSD11B1 (0.41) MEN1KMT2ARAB9AALDH1A1
SCHEMBL547871 0.72 LMNA (0.39) MEN1KMT2ARAB9ALMNATHRB

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
CN-107429059-B Energy-sensitive resin composition 东京应化工业株式会社 2020-10-23 CN disclosed