SCHEMBL7871573

SCHEMBL7871573

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(CCNC(=O)c3ccc(F)cc3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
MAPT P10636 2/20 0.42
GABRA5 P31644 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 4/20 0.40
CA2 P00918 4/20 0.40
CA7 P43166 4/20 0.40
CA9 Q16790 4/20 0.40
CA14 Q9ULX7 4/20 0.40
NAMPT P43490 1/20 0.39
HTT P42858 1/20 0.39
BCL2L1 Q07817 1/20 0.39
MCL1 Q07820 1/20 0.39
HPGDS O60760 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
SCHEMBL7870522 0.93 NPC1 (0.44) NPC1RAB9AMAPTGABRA5SMN1; SMN2
SCHEMBL7869411 0.93 RAB9A (0.48) NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL7874604 0.92 RAB9A (0.44) NPC1RAB9AMAPTGABRA5SMN1; SMN2
SCHEMBL7867914 0.92 SMN1; SMN2 (0.46) NPC1RAB9AMAPTGABRA5SMN1; SMN2
SCHEMBL7869433 0.91 MAPT (0.50) NPC1RAB9AMAPTGABRA5SMN1; SMN2
SCHEMBL7870592 0.91 MAPT (0.50) NPC1RAB9AMAPTGABRA5SMN1; SMN2
SCHEMBL7874593 0.90 MAPT (0.51) NPC1RAB9AMAPTSMN1; SMN2CA1
SCHEMBL7870462 0.89 NPC1 (0.39) NPC1RAB9AMAPTSMN1; SMN2CA1
SCHEMBL7862782 0.89 RAB9A (0.49) NPC1RAB9ASMN1; SMN2HTT
SCHEMBL9018287 0.88 NPC1 (0.47) NPC1RAB9AMAPTSMN1; SMN2CA1

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