SCHEMBL7869436

SCHEMBL7869436

NCC(=O)NC(=O)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCCc3ccccc3)cc2)cn1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
EPHX2 P34913 1/20 0.43
P4HTM Q9NXG6 2/20 0.43
BCL2L1 Q07817 4/20 0.42
MCL1 Q07820 4/20 0.42
NAMPT P43490 1/20 0.41
MLYCD O95822 1/20 0.41
OPRM1 P35372 2/20 0.41
OPRD1 P41143 2/20 0.41
OPRK1 P41145 2/20 0.41
HSP90AA1 P07900 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
SCHEMBL7871605 0.97 HSP90AA1 (0.44) NPC1RAB9ASMN1; SMN2EPHX2P4HTM
SCHEMBL7870554 0.95 NPC1 (0.49) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL7867814 0.92 MEN1 (0.48) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL7867675 0.89 NPC1 (0.49) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL7870341 0.89 CA2 (0.43) NPC1RAB9AP4HTMBCL2L1MCL1
SCHEMBL7862716 0.87 CA2 (0.49) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL7869439 0.87 RAB9A (0.42) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL7862735 0.87 P4HTM (0.56) P4HTMBCL2L1MCL1
SCHEMBL7869451 0.87 CA2 (0.49) NPC1RAB9ASMN1; SMN2P4HTMMLYCD
SCHEMBL7870451 0.87 NPC1 (0.46) NPC1RAB9ASMN1; SMN2EPHX2P4HTM

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