SCHEMBL8868581

SCHEMBL8868581

CCCCN(CCCC)C(=O)c1cccc(S(=O)(=O)NC(=O)c2ccc(C(=O)NCC(=O)OC)nc2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.43
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
BCL2L1 Q07817 7/20 0.39
BCL2 P10415 6/20 0.39
MCL1 Q07820 1/20 0.39
HDAC1 Q13547 2/20 0.37
HDAC6 Q9UBN7 2/20 0.37
STAMBP O95630 1/20 0.36
LIMK1 P53667 1/20 0.36
LIMK2 P53671 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 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 0.90 P4HTM (0.48) P4HTMBCL2L1BCL2MCL1HDAC1
SCHEMBL8868129 0.89 P4HTM (0.45) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL9140272 0.89 P4HTM (0.47) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL8869570 0.87 SMN1; SMN2 (0.46) P4HTMBCL2L1MCL1HDAC6STAMBP
SCHEMBL9141161 0.87 P4HTM (0.59) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL8868874 0.85 P4HTM (0.44) P4HTMBCL2L1MCL1HDAC6STAMBP
SCHEMBL8868272 0.85 P4HTM (0.48) P4HTMALDH1A1BCL2L1MCL1STAMBP
SCHEMBL9139242 0.84 P4HTM (0.44) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL9139237 0.84 P4HTM (0.44) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL8870065 0.83 P4HTM (0.45) P4HTMBCL2L1BCL2MCL1HDAC1

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