SCHEMBL7862856

SCHEMBL7862856

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2ccc(C(=O)NCCCCc3ccccc3)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.46
NPC1 O15118 3/20 0.44
RAB9A P51151 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
P4HTM Q9NXG6 3/20 0.44
MLYCD O95822 1/20 0.44
PTAFR P25105 1/20 0.43
EPHX2 P34913 1/20 0.42
BCL2L1 Q07817 1/20 0.41
MCL1 Q07820 1/20 0.41
GABRA5 P31644 2/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
GLA P06280 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
HPGD P15428 1/20 0.41
CYP2C19 P33261 1/20 0.41
EGFR P00533 1/20 0.41
NAMPT P43490 1/20 0.41

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
SCHEMBL7870451 0.97 NPC1 (0.46) HSP90AA1NPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL7871640 0.94 RAB9A (0.52) NPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL7874558 0.91 HDAC2 (0.44) HSP90AA1NPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL7867808 0.91 HSP90AA1 (0.44) HSP90AA1NPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL7867790 0.91 MEN1 (0.48) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL9574776 0.89 ALDH1A1 (0.44) HSP90AA1NPC1RAB9ASMN1; SMN2P4HTM
SCHEMBL7862888 0.89 HDAC2 (0.45) NPC1RAB9ASMN1; SMN2P4HTMEPHX2
SCHEMBL7874583 0.89 NPC1 (0.45) NPC1RAB9ASMN1; SMN2P4HTMMLYCD
SCHEMBL7869455 0.88 P4HTM (0.57) NPC1RAB9ASMN1; SMN2P4HTMBCL2L1
SCHEMBL9018225 0.87 HSP90AA1 (0.47) HSP90AA1NPC1RAB9ASMN1; SMN2P4HTM

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