SCHEMBL7874558

SCHEMBL7874558

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCCCc3ccccc3)c2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
ALDH1A1 P00352 4/20 0.43
RAB9A P51151 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
TP53 P04637 1/20 0.43
CYP2D6 P10635 3/20 0.42
CYP2C9 P11712 3/20 0.42
HPGD P15428 3/20 0.42
CYP2C19 P33261 3/20 0.42
CYP1A2 P05177 2/20 0.42
GLA P06280 1/20 0.42
PTAFR P25105 1/20 0.42
EPHX2 P34913 1/20 0.42
P4HTM Q9NXG6 1/20 0.41
FAAH O00519 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPT P10636 2/20 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
SCHEMBL7862888 0.97 HDAC2 (0.45) HDAC2HDAC8HDAC6ALDH1A1RAB9A
SCHEMBL7862782 0.94 RAB9A (0.49) HDAC2HDAC8HDAC6ALDH1A1RAB9A
SCHEMBL7862856 0.91 HSP90AA1 (0.46) ALDH1A1RAB9ASMN1; SMN2NPC1CYP2D6
SCHEMBL7871628 0.91 HTT (0.53) HDAC2HDAC8HDAC6ALDH1A1RAB9A
SCHEMBL7869411 0.90 RAB9A (0.48) HDAC2HDAC8HDAC6ALDH1A1RAB9A
SCHEMBL7871636 0.89 RAB9A (0.46) HDAC2HDAC8HDAC6ALDH1A1RAB9A
SCHEMBL7869413 0.89 SMPD1 (0.45) SMN1; SMN2
SCHEMBL7867848 0.89 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2HPGDP4HTMKDM4E
SCHEMBL7870451 0.89 NPC1 (0.46) RAB9ASMN1; SMN2NPC1EPHX2P4HTM
SCHEMBL8869077 0.89 P4HTM (0.51) HDAC2HDAC8HDAC6ALDH1A1RAB9A

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