SCHEMBL7869443

SCHEMBL7869443

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)CCOc2ccccc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
P4HTM Q9NXG6 2/20 0.43
GABRA5 P31644 4/20 0.41
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
NPC1 O15118 7/20 0.39
RAB9A P51151 6/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
HPGD P15428 1/20 0.39
CXCR1 P25024 1/20 0.38
CXCR2 P25025 1/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
SPHK2 Q9NRA0 1/20 0.38
SPHK1 Q9NYA1 1/20 0.38
OPRK1 P41145 1/20 0.38
EPHX2 P34913 1/20 0.37
POLB P06746 1/20 0.37
CASP3 P42574 1/20 0.37
SENP7 Q9BQF6 1/20 0.37

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
SCHEMBL7862809 0.91 GABRA5 (0.43) P4HTMGABRA5MEN1KMT2ANPC1
SCHEMBL7874627 0.90 GABRA5 (0.43) GABRA5RAB9ASMN1; SMN2CXCR1CXCR2
SCHEMBL7871645 0.87 P4HTM (0.58) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL7867806 0.86 P4HTM (0.45) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL8868213 0.85 P4HTM (0.54) P4HTMMEN1KMT2ANPC1RAB9A
SCHEMBL7867903 0.85 P4HTM (0.44) P4HTMGABRA5NPC1RAB9ASMN1; SMN2
SCHEMBL7862825 0.84 P4HTM (0.43) P4HTMGABRA5MEN1KMT2ACXCR1
SCHEMBL7867895 0.84 NPC1 (0.51) P4HTMGABRA5MEN1KMT2ANPC1
SCHEMBL9018289 0.83 P4HTM (0.46) P4HTMGABRA5MEN1KMT2ANPC1
SCHEMBL9574661 0.82 GABRA5 (0.51) GABRA5

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