SCHEMBL8869660

SCHEMBL8869660

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 9/20 0.48
LIMK1 P53667 2/20 0.46
LIMK2 P53671 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
EGFR P00533 3/20 0.43
EGLN1 Q9GZT9 2/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
ERBB2 P04626 1/20 0.39
USP5 P45974 1/20 0.39

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) P4HTMLIMK1LIMK2EGFRHDAC1
SCHEMBL8867875 0.89 P4HTM (0.47) P4HTMLIMK1LIMK2EGFRHDAC1
SCHEMBL9137310 0.89 P4HTM (0.62) P4HTMLIMK1LIMK2EGFRHDAC1
SCHEMBL8870065 0.89 P4HTM (0.45) P4HTMLIMK1LIMK2CA2EGFR
SCHEMBL8868768 0.87 P4HTM (0.43) P4HTMLIMK1LIMK2EGFREGLN1
SCHEMBL8869042 0.87 P4HTM (0.48) P4HTMLIMK1LIMK2EGFRHDAC1
SCHEMBL8868783 0.86 LIMK1 (0.48) P4HTMLIMK1LIMK2CA2HDAC1
SCHEMBL8868788 0.85 P4HTM (0.45) P4HTMLIMK1LIMK2EGFRHDAC1
SCHEMBL8869765 0.85 P4HTM (0.51) P4HTMCA1CA2CA9EGFR
SCHEMBL9140979 0.85 P4HTM (0.53) P4HTMLIMK1LIMK2EGFRHDAC1

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