SCHEMBL7862716

SCHEMBL7862716

NCC(=O)NC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(CCNC(=O)Cc3ccccc3)cc2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 9/20 0.49
CA1 P00915 8/20 0.49
CA5A P35218 2/20 0.49
CA7 P43166 2/20 0.49
CA5B Q9Y2D0 2/20 0.49
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
P4HTM Q9NXG6 2/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
CA9 Q16790 5/20 0.41
CA12 O43570 4/20 0.41
OPRM1 P35372 3/20 0.40
OPRD1 P41143 3/20 0.40
OPRK1 P41145 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40

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
SCHEMBL7869439 0.93 RAB9A (0.42) CA2CA1CA5ACA7CA5B
SCHEMBL7870554 0.92 NPC1 (0.49) CA2CA1NPC1RAB9ASMN1; SMN2
SCHEMBL7867814 0.91 MEN1 (0.48) CA2CA1NPC1RAB9ASMN1; SMN2
SCHEMBL7869453 0.91 POLB (0.52) P4HTMBCL2L1MCL1POLBALDH1A1
SCHEMBL7870546 0.88 CA2 (0.48) CA2CA1CA5ACA7CA5B
SCHEMBL7871673 0.88 ACACB (0.43) CA2CA1P4HTMCA9CA12
SCHEMBL7869436 0.87 NPC1 (0.44) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL7871605 0.86 HSP90AA1 (0.44) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL9574869 0.86 CA1 (0.47) CA2CA1CA5ACA7CA5B
SCHEMBL7862735 0.86 P4HTM (0.56) P4HTMBCL2L1MCL1MEN1KMT2A

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