SCHEMBL9017993

SCHEMBL9017993

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

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 8/20 0.40
BCL2 P10415 7/20 0.40
P4HTM Q9NXG6 4/20 0.40
ALDH1A1 P00352 1/20 0.39
HPGD P15428 1/20 0.39
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
MCL1 Q07820 1/20 0.38
MEN1 O00255 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
ALOX12 P18054 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
LIMK1 P53667 1/20 0.38
LIMK2 P53671 1/20 0.38
CASP3 P42574 1/20 0.37
HDAC3 O15379 1/20 0.37
HDAC4 P56524 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
SCHEMBL9018366 0.93 P4HTM (0.37) BCL2L1BCL2P4HTMALDH1A1HPGD
SCHEMBL9018102 0.92 BCL2L1 (0.38) BCL2L1BCL2P4HTMALDH1A1HPGD
SCHEMBL9018144 0.92 BCL2L1 (0.39) BCL2L1BCL2P4HTMALDH1A1HPGD
SCHEMBL9018259 0.90 LIMK1 (0.45) BCL2L1BCL2P4HTMHDAC1HDAC6
SCHEMBL7867702 0.88 BCL2L1 (0.37) BCL2L1BCL2P4HTMALDH1A1HPGD
SCHEMBL7862880 0.87 P4HTM (0.37) BCL2L1BCL2P4HTMALDH1A1HPGD
SCHEMBL9018092 0.85 SMN1; SMN2 (0.47) BCL2L1P4HTMALDH1A1MCL1MEN1
SCHEMBL9140272 0.85 P4HTM (0.47) BCL2L1BCL2P4HTMALDH1A1HPGD
SCHEMBL9018042 0.84 SMN1; SMN2 (0.43) BCL2L1P4HTMHDAC6MCL1MEN1
SCHEMBL9517927 0.83 P4HTM (0.42) BCL2L1BCL2P4HTMALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0590520-B1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AG (DE) 1996-06-12 EP disclosed
EP-0590520-A1 Acylsulphonamido and sulphonamidopyridine-2-carboxylic acid esters, pyridine-n-oxides thereof, a process for their preparation and their use as medicaments HOECHST AKTIENGESELLSCHAFT (DE) 1994-04-06 EP disclosed