SCHEMBL9130261

SCHEMBL9130261

Cc1ccccc1C(N[C]=O)(c1ccccc1)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 3/20 0.41
HDAC3 O15379 1/20 0.34
HDAC4 P56524 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC7 Q8WUI4 1/20 0.34
HDAC2 Q92769 1/20 0.34
HDAC10 Q969S8 1/20 0.34
HDAC11 Q96DB2 1/20 0.34
HDAC8 Q9BY41 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
HDAC9 Q9UKV0 1/20 0.34
HDAC5 Q9UQL6 1/20 0.34
KIF11 P52732 2/20 0.32
TSHR P16473 1/20 0.31
ACHE P22303 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
TDP1 Q9NUW8 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
SCHEMBL2074396 0.80 KCNN4 (0.48) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL26063349 0.77 KCNN4 (0.64) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL2488777 0.73 KCNN4 (0.68) KCNN4KIF11TSHRACHEL3MBTL1
SCHEMBL28244087 0.69 ESR1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL430195 0.69 ESR1 (0.41) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL3114470 0.69 HDAC3 (0.45) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL1549012 0.69 HDAC3 (0.45) KCNN4HDAC3HDAC4HDAC1HDAC7
SCHEMBL10918052 0.68 KIF11 (0.31) KIF11TSHRACHE
SCHEMBL9632116 0.68 TSHR (0.43) KCNN4KIF11TSHRACHEMEN1
SCHEMBL2780246 0.66 KCNN4 (0.46) KCNN4KIF11TSHRACHEKMT2A

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
US-5455363-A Having trityl as amide-protecting group for asparagine and glutamine; reduced side reaction GOSTELI JACQUES (CH) 1995-10-03 US disclosed