SCHEMBL16660453

SCHEMBL16660453

COCCN(C(=O)O)C(c1cccc(-c2cc3cccc(Cl)c3s2)n1)C(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
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
ALOX5 P09917 1/20 0.34
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CRHR1 P34998 2/20 0.31
HTR2C P28335 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
SCHEMBL16660464 0.79 MAPT (0.37) MEN1KMT2A
SCHEMBL103974 0.77 HDAC3 (0.37) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL16660510 0.74 IRAK4 (0.38) HDAC1HDAC6MEN1KMT2A
SCHEMBL106462 0.74 MET (0.42)
SCHEMBL16660454 0.73 HDAC3 (0.34) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1479076 0.71 MET (0.33) MEN1KMT2A
SCHEMBL172041 0.62 MST1R (0.41) CRHR1
SCHEMBL108014 0.60 HDAC1 (0.45) HDAC1
SCHEMBL2897562 0.59 HDAC3 (0.68) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL5237282 0.59 HDAC3 (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2

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-9018378-B2 Processes and intermediates for preparing fused heterocyclic kinase inhibitors METHYLGENE INC. (CA) 2015-04-28 US disclosed