SCHEMBL7862849

SCHEMBL7862849

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 5/20 0.43
CA1 P00915 4/20 0.43
CA5A P35218 3/20 0.43
CA7 P43166 2/20 0.43
CA5B Q9Y2D0 2/20 0.43
OPRM1 P35372 3/20 0.41
OPRD1 P41143 3/20 0.41
OPRK1 P41145 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
P4HTM Q9NXG6 3/20 0.39
ALDH1A1 P00352 2/20 0.37
CA12 O43570 2/20 0.37
CA9 Q16790 2/20 0.37
HSD17B10 Q99714 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37
EPHX2 P34913 1/20 0.36
PPARA Q07869 1/20 0.36

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
SCHEMBL7862840 0.92 CA1 (0.45) CA2CA1CA5ACA7CA5B
SCHEMBL9574869 0.91 CA1 (0.47) CA2CA1CA5ACA7CA5B
SCHEMBL7870550 0.91 POLB (0.45) OPRM1OPRD1SMN1; SMN2ALDH1A1BCL2L1
SCHEMBL8867758 0.89 P4HTM (0.46) CA2CA1CA5ACA7CA5B
SCHEMBL7867901 0.89 EGFR (0.39) CA2CA1CA5ACA7OPRM1
SCHEMBL7870546 0.88 CA2 (0.48) CA2CA1CA5ACA7CA5B
SCHEMBL9018302 0.86 CA1 (0.50) CA2CA1CA5ACA7CA5B
SCHEMBL7871678 0.86 ALDH1A1 (0.41) OPRM1OPRD1OPRK1NPC1RAB9A
SCHEMBL7874497 0.86 MAPT (0.47) CA2CA1NPC1RAB9ASMN1; SMN2
SCHEMBL7870483 0.85 LMNA (0.41) OPRM1OPRD1SMN1; SMN2ALDH1A1EPHX2

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