SCHEMBL7862840

SCHEMBL7862840

CC(=O)OCCNC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.45
CA2 P00918 4/20 0.45
CA5A P35218 2/20 0.45
CA7 P43166 2/20 0.45
CA5B Q9Y2D0 2/20 0.45
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 1/20 0.41
P4HTM Q9NXG6 3/20 0.40
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
ALDH1A1 P00352 2/20 0.38
BCL2L1 Q07817 1/20 0.38
MCL1 Q07820 1/20 0.38
EPHX2 P34913 1/20 0.38
PPARA Q07869 1/20 0.37
GAA P10253 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
SCHEMBL7871678 0.94 ALDH1A1 (0.41) NPC1RAB9ASMN1; SMN2OPRM1OPRD1
SCHEMBL9574869 0.93 CA1 (0.47) CA1CA2CA5ACA7CA5B
SCHEMBL7862849 0.92 CA2 (0.43) CA1CA2CA5ACA7CA5B
SCHEMBL7869440 0.91 MEN1 (0.45) NPC1RAB9ASMN1; SMN2OPRM1OPRD1
SCHEMBL7869424 0.91 POLB (0.47) SMN1; SMN2OPRM1OPRD1OPRK1ALDH1A1
SCHEMBL7870546 0.89 CA2 (0.48) CA1CA2CA5ACA7CA5B
SCHEMBL7862837 0.89 POLB (0.43) CA1CA2SMN1; SMN2P4HTMCA12
SCHEMBL8869248 0.89 P4HTM (0.47) CA1CA2CA5ACA7CA5B
SCHEMBL7862714 0.89 ALDH1A1 (0.45) CA1CA2P4HTMALDH1A1EPHX2
SCHEMBL7862728 0.86 MEN1 (0.39) CA1CA2CA5ACA7SMN1; SMN2

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-0562512-B1 Sulfonamidocarbonylpyridine-2-carboxamides and their use as medicines HOECHST AG (DE) 2001-02-21 EP disclosed
EP-0562512-A1 Sulfonamido- and sulfonamidocarbonyl-pyridine-2-carboxamides and their pyridine-N-oxides, process for their preparation and their use as medicines HOECHST AKTIENGESELLSCHAFT (DE) 1993-09-29 EP disclosed