SCHEMBL7870546

SCHEMBL7870546

O=C(Cc1ccccc1)NCCc1ccc(S(=O)(=O)NC(=O)c2ccc(OC(=O)NCCO)nc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 6/20 0.48
CA1 P00915 5/20 0.48
CA5A P35218 2/20 0.48
CA7 P43166 2/20 0.48
CA5B Q9Y2D0 2/20 0.48
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P4HTM Q9NXG6 3/20 0.43
OPRM1 P35372 4/20 0.41
OPRD1 P41143 4/20 0.41
OPRK1 P41145 2/20 0.41
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
CA12 O43570 3/20 0.40
CA9 Q16790 3/20 0.40
EGFR P00533 2/20 0.40
MEN1 O00255 1/20 0.39
POLB P06746 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL9574894 0.92 SMN1; SMN2 (0.42) CA2CA1CA5ACA7CA5B
SCHEMBL9574869 0.91 CA1 (0.47) CA2CA1CA5ACA7CA5B
SCHEMBL7871640 0.91 RAB9A (0.52) NPC1RAB9ASMN1; SMN2P4HTMOPRM1
SCHEMBL7867790 0.90 MEN1 (0.48) CA2CA1NPC1RAB9ASMN1; SMN2
SCHEMBL7867954 0.90 POLB (0.50) P4HTMBCL2L1MCL1MEN1POLB
SCHEMBL7870480 0.90 SCN3A (0.46) CA2CA1CA5ACA7CA5B
SCHEMBL7862840 0.89 CA1 (0.45) CA2CA1CA5ACA7CA5B
SCHEMBL7862716 0.88 CA2 (0.49) CA2CA1CA5ACA7CA5B
SCHEMBL7862849 0.88 CA2 (0.43) CA2CA1CA5ACA7CA5B
SCHEMBL9018302 0.88 CA1 (0.50) CA2CA1CA5ACA7CA5B

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