SCHEMBL8868129

SCHEMBL8868129

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 4/20 0.45
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
NTRK2 Q16620 1/20 0.40
BCL2L1 Q07817 4/20 0.40
BCL2 P10415 3/20 0.40
FBP1 P09467 1/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
MCL1 Q07820 1/20 0.38
CYP2C19 P33261 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL8867875 0.90 P4HTM (0.47) P4HTMALDH1A1NTRK2BCL2L1BCL2
SCHEMBL9141161 0.89 P4HTM (0.59) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL8868581 0.89 P4HTM (0.43) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL8868877 0.88 SMN1; SMN2 (0.50) P4HTMBCL2L1FBP1MCL1CYP2C19
SCHEMBL9140272 0.87 P4HTM (0.47) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL7862880 0.87 P4HTM (0.37) P4HTMALDH1A1HPGDNTRK2BCL2L1
SCHEMBL8868684 0.86 P4HTM (0.47) P4HTMBCL2L1FBP1MCL1HSD17B10
SCHEMBL9517927 0.85 P4HTM (0.42) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL9139242 0.85 P4HTM (0.44) P4HTMALDH1A1HPGDBCL2L1BCL2
SCHEMBL9139237 0.85 P4HTM (0.44) P4HTMALDH1A1HPGDBCL2L1BCL2

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