SCHEMBL8869042

SCHEMBL8869042

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 5/20 0.48
LIMK1 P53667 1/20 0.43
LIMK2 P53671 1/20 0.43
EGFR P00533 3/20 0.42
BCL2L1 Q07817 2/20 0.39
MCL1 Q07820 1/20 0.39
ERBB2 P04626 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
GAA P10253 1/20 0.37
HDAC1 Q13547 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
PKM P14618 1/20 0.37
CYP2C19 P33261 1/20 0.37
SCN9A Q15858 1/20 0.36
SCN10A Q9Y5Y9 1/20 0.36
BCL2 P10415 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
SCHEMBL8868788 0.93 P4HTM (0.45) P4HTMLIMK1LIMK2EGFRBCL2L1
SCHEMBL8867875 0.92 P4HTM (0.47) P4HTMLIMK1LIMK2EGFRBCL2L1
SCHEMBL8868495 0.89 P4HTM (0.48) P4HTMLIMK1LIMK2EGFRBCL2L1
SCHEMBL9140979 0.88 P4HTM (0.53) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL8869116 0.88 P4HTM (0.53) P4HTMEGFRBCL2L1MCL1ALDH1A1
SCHEMBL8869660 0.87 P4HTM (0.48) P4HTMLIMK1LIMK2EGFRERBB2
SCHEMBL7871568 0.86 LIMK1 (0.41) P4HTMLIMK1LIMK2EGFRBCL2L1
SCHEMBL8869547 0.86 CA2 (0.52) P4HTMEGFRBCL2L1MCL1ALDH1A1
SCHEMBL8870065 0.85 P4HTM (0.45) P4HTMLIMK1LIMK2EGFRBCL2L1
SCHEMBL9137310 0.85 P4HTM (0.62) P4HTMLIMK1LIMK2EGFRALDH1A1

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