SCHEMBL8868768

SCHEMBL8868768

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

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 7/20 0.43
LIMK1 P53667 1/20 0.40
LIMK2 P53671 1/20 0.40
EGLN1 Q9GZT9 1/20 0.40
EGFR P00533 3/20 0.39
ERBB2 P04626 1/20 0.36
BCL2L1 Q07817 3/20 0.35
BCL2 P10415 2/20 0.35
MCL1 Q07820 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35

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
SCHEMBL8868495 0.91 P4HTM (0.48) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8870065 0.90 P4HTM (0.45) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL9137002 0.89 P4HTM (0.48) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8869660 0.87 P4HTM (0.48) P4HTMLIMK1LIMK2EGLN1EGFR
SCHEMBL8869152 0.87 EGLN1 (0.54) P4HTMEGLN1EGFR
SCHEMBL8870235 0.85 EGLN1 (0.50) P4HTMEGLN1EGFR
SCHEMBL8868783 0.85 LIMK1 (0.48) P4HTMLIMK1LIMK2BCL2L1BCL2
SCHEMBL8867730 0.85 P4HTM (0.48) P4HTMEGLN1EGFR
SCHEMBL8867875 0.85 P4HTM (0.47) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8869042 0.84 P4HTM (0.48) 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