SCHEMBL9018550

SCHEMBL9018550

O=C(Oc1ccc(C(=O)NS(=O)(=O)c2ccc(Cl)c(C(=O)NCCOc3ccccc3)c2)cn1)OC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
BCL2L1 Q07817 2/20 0.40
MCL1 Q07820 2/20 0.40
CXCR3 P49682 4/20 0.39
CCR2 P41597 5/20 0.39
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
CCR4 P51679 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
SCHEMBL9018268 0.89 RAB9A (0.46) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL9140113 0.89 SMN1; SMN2 (0.45) SMN1; SMN2CA1CA2CA9ALDH1A1
SCHEMBL9018540 0.89 RAB9A (0.47) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL9017981 0.88 ALDH1A1 (0.41) SMN1; SMN2ALDH1A1HPGDNPC1RAB9A
SCHEMBL9018349 0.88 ALDH1A1 (0.49) SMN1; SMN2CA1CA2CA9ALDH1A1
SCHEMBL9018281 0.85 ALDH1A1 (0.47) SMN1; SMN2CA1CA2CA9ALDH1A1
SCHEMBL7862784 0.83 HPGD (0.46) SMN1; SMN2CA1CA2CA9ALDH1A1
SCHEMBL7867706 0.83 HPGD (0.48) SMN1; SMN2CA1CA2CA9ALDH1A1
SCHEMBL7874495 0.81 ALDH1A1 (0.46) SMN1; SMN2CA1CA2CA9ALDH1A1
SCHEMBL9018303 0.80 MCL1 (0.51) BCL2L1MCL1

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