SCHEMBL7862782

SCHEMBL7862782

O=C(NCCO)Oc1ccc(C(=O)NS(=O)(=O)c2cccc(C(=O)NCCc3ccccc3)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.49
NPC1 O15118 5/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
ALDH1A1 P00352 1/20 0.49
TP53 P04637 1/20 0.49
HDAC2 Q92769 2/20 0.48
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
HDAC3 O15379 1/20 0.46
HDAC4 P56524 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
AKR1C3 P42330 1/20 0.44
P4HTM Q9NXG6 3/20 0.43
HTT P42858 1/20 0.43
MEN1 O00255 1/20 0.43

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
SCHEMBL7869411 0.96 RAB9A (0.48) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL7862888 0.95 HDAC2 (0.45) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL7874558 0.94 HDAC2 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL7871628 0.93 HTT (0.53) RAB9AALDH1A1HDAC2HDAC8HDAC6
SCHEMBL7870522 0.92 NPC1 (0.44) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL7871592 0.92 AKR1C3 (0.46) RAB9ANPC1SMN1; SMN2ALDH1A1TP53
SCHEMBL7871640 0.91 RAB9A (0.52) RAB9ANPC1SMN1; SMN2HDAC2HDAC8
SCHEMBL7870457 0.91 SMN1; SMN2 (0.53) RAB9ANPC1SMN1; SMN2ALDH1A1AKR1C3
SCHEMBL7867790 0.90 MEN1 (0.48) RAB9ANPC1SMN1; SMN2TP53HDAC2
SCHEMBL7870551 0.90 RAB9A (0.49) RAB9ANPC1SMN1; SMN2TP53P4HTM

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