SCHEMBL9018246

SCHEMBL9018246

CCC(CC)OC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2cccc3ccccc23)cn1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ P4HTM Q9NXG6 3/20 0.57
▸ KCNA5 P22460 2/20 0.39
▸ HTR6 P50406 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ SLC6A9 P48067 2/20 0.38
▸ HCRTR1 O43613 1/20 0.37
▸ MCL1 Q07820 1/20 0.37
▸ PIN1 Q13526 2/20 0.37
▸ SLC16A3 O15427 1/20 0.37
▸ EDNRA P25101 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ PPARG P37231 2/20 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
SCHEMBL9018333 0.89 P4HTM (0.64) P4HTMTSHRHCRTR1MCL1PIN1
SCHEMBL9018353 0.87 P4HTM (0.60) P4HTMHTR6TSHRHCRTR1MCL1
SCHEMBL9018214 0.84 P4HTM (0.55) P4HTMMCL1
SCHEMBL9574712 0.79 P4HTM (0.57) P4HTMTSHRHCRTR1MCL1PIN1
SCHEMBL9574792 0.79 P4HTM (0.54) P4HTMKCNA5TSHRSLC6A9HCRTR1
SCHEMBL9574775 0.79 P4HTM (0.59) P4HTMHTR6TSHRHCRTR1MCL1
SCHEMBL9018122 0.78 HTT (0.50) P4HTMEPHX2POLB
SCHEMBL9018055 0.78 SMN1; SMN2 (0.42) P4HTMMCL1
SCHEMBL9018203 0.78 EGFR (0.42) P4HTMEPHX2
SCHEMBL9018456 0.78 P4HTM (0.57) P4HTMTSHR

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
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