SCHEMBL9516962

SCHEMBL9516962

CCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(COC(=O)c3ccccc3)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LIMK1 P53667 2/20 0.48
LIMK2 P53671 1/20 0.48
HDAC1 Q13547 3/20 0.45
HDAC6 Q9UBN7 3/20 0.45
P4HTM Q9NXG6 4/20 0.44
HDAC3 O15379 2/20 0.43
HDAC2 Q92769 2/20 0.43
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
PTGS2 P35354 1/20 0.40
LPAR1 Q92633 1/20 0.39
LPAR5 Q9H1C0 1/20 0.39
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
EGFR P00533 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC7 Q8WUI4 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC11 Q96DB2 1/20 0.38

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
SCHEMBL9517110 0.84 P4HTM (0.61) P4HTMPTGS2BCL2L1MCL1L3MBTL1
SCHEMBL9517114 0.84 LIMK1 (0.47) LIMK1LIMK2HDAC1HDAC6P4HTM
SCHEMBL9519173 0.82 P4HTM (0.58) P4HTMGAAPTGS2BCL2L1MCL1
SCHEMBL9138602 0.81 P4HTM (0.48) LIMK1LIMK2HDAC1HDAC6P4HTM
SCHEMBL9140979 0.80 P4HTM (0.53) LIMK1LIMK2HDAC1HDAC6P4HTM
SCHEMBL9137310 0.80 P4HTM (0.62) LIMK1LIMK2HDAC1HDAC6P4HTM
SCHEMBL9137000 0.80 P4HTM (0.48) LIMK1LIMK2HDAC1HDAC6P4HTM
SCHEMBL8868783 0.78 LIMK1 (0.48) LIMK1LIMK2HDAC1HDAC6P4HTM
SCHEMBL9517927 0.78 P4HTM (0.42) LIMK1LIMK2HDAC1HDAC6P4HTM
SCHEMBL9137002 0.78 P4HTM (0.48) LIMK1LIMK2HDAC1HDAC6P4HTM

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
EP-0567997-A1 4- or 5-(sulf)imido- and (sulfon)amidopyridines and their pyridine-N-oxides, process for their preparation and their use as pharmaceutical HOECHST AKTIENGESELLSCHAFT (DE) 1993-11-03 EP disclosed