SCHEMBL8868495

SCHEMBL8868495

CCCCN(CCCC)C(=O)c1ccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCC(=O)OC)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 7/20 0.48
LIMK1 P53667 2/20 0.43
LIMK2 P53671 1/20 0.43
EGFR P00533 3/20 0.42
ERBB2 P04626 1/20 0.38
BCL2L1 Q07817 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
MCL1 Q07820 1/20 0.37
BCL2 P10415 1/20 0.36
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
FLT1 P17948 1/20 0.36

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
SCHEMBL8870065 0.93 P4HTM (0.45) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8868768 0.91 P4HTM (0.43) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8869660 0.91 P4HTM (0.48) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8868581 0.90 P4HTM (0.43) P4HTMLIMK1LIMK2BCL2L1HDAC1
SCHEMBL8869042 0.89 P4HTM (0.48) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8868783 0.88 LIMK1 (0.48) P4HTMLIMK1LIMK2BCL2L1HDAC1
SCHEMBL8867875 0.88 P4HTM (0.47) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL9140979 0.88 P4HTM (0.53) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8868634 0.86 P4HTM (0.51) P4HTMEGFRBCL2L1MCL1FLT1
SCHEMBL8868788 0.85 P4HTM (0.45) P4HTMLIMK1LIMK2EGFRERBB2

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-5607954-A Sulfonamido- and sulfonamidocarbonylpyridine-2-carboxamides and their pyridine-n-oxides, process for their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed