SCHEMBL7870522

SCHEMBL7870522

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccc(F)cc3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
GABRA5 P31644 2/20 0.42
PKM P14618 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 2/20 0.41
TP53 P04637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
PTGER4 P35408 1/20 0.40
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
PTGS2 P35354 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
SCHEMBL7871573 0.93 NPC1 (0.45) NPC1RAB9AGABRA5SMN1; SMN2MAPT
SCHEMBL7862782 0.92 RAB9A (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1TP53
SCHEMBL7871592 0.92 AKR1C3 (0.46) NPC1RAB9AGABRA5SMN1; SMN2ALDH1A1
SCHEMBL7870592 0.91 MAPT (0.50) NPC1RAB9AGABRA5SMN1; SMN2MAPT
SCHEMBL7869433 0.91 MAPT (0.50) NPC1RAB9AGABRA5SMN1; SMN2MAPT
SCHEMBL7870457 0.90 SMN1; SMN2 (0.53) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8869497 0.89 NPC1 (0.48) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL7869411 0.88 RAB9A (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL9018255 0.88 ALDH1A1 (0.46) NPC1RAB9APKMSMN1; SMN2ALDH1A1
SCHEMBL7870454 0.88 ALDH1A1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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