SCHEMBL7862888

SCHEMBL7862888

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCCc3ccccc3)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
EPHX2 P34913 1/20 0.45
RAB9A P51151 5/20 0.43
NPC1 O15118 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
TP53 P04637 1/20 0.43
NAMPT P43490 1/20 0.43
P4HTM Q9NXG6 3/20 0.42
HPGD P15428 1/20 0.42
HTT P42858 1/20 0.42
HSD17B10 Q99714 1/20 0.41
SPHK2 Q9NRA0 1/20 0.41
SPHK1 Q9NYA1 1/20 0.41
POLB P06746 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
SCHEMBL7874558 0.97 HDAC2 (0.44) HDAC2HDAC8HDAC6EPHX2RAB9A
SCHEMBL7862782 0.95 RAB9A (0.49) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL7871636 0.92 RAB9A (0.46) HDAC2HDAC8HDAC6EPHX2RAB9A
SCHEMBL7871628 0.91 HTT (0.53) HDAC2HDAC8HDAC6EPHX2RAB9A
SCHEMBL7870451 0.91 NPC1 (0.46) EPHX2RAB9ANPC1SMN1; SMN2NAMPT
SCHEMBL7869411 0.91 RAB9A (0.48) HDAC2HDAC8HDAC6RAB9ANPC1
SCHEMBL7867848 0.90 SMN1; SMN2 (0.45) SMN1; SMN2ALDH1A1P4HTMHPGDHTT
SCHEMBL7869480 0.89 HSD17B10 (0.42) RAB9ASMN1; SMN2ALDH1A1P4HTMHTT
SCHEMBL7862856 0.89 HSP90AA1 (0.46) EPHX2RAB9ANPC1SMN1; SMN2ALDH1A1
SCHEMBL8870157 0.89 P4HTM (0.52) HDAC2HDAC8HDAC6EPHX2RAB9A

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