SCHEMBL7079768

SCHEMBL7079768

NCCc1csc(COC(N)=O)n1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 14/20 0.39
HDAC6 Q9UBN7 14/20 0.39
AOC3 Q16853 1/20 0.38
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CASP3 P42574 1/20 0.34
SENP8 Q96LD8 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
KDM4E B2RXH2 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
APEX1 P27695 1/20 0.33
RECQL P46063 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33

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
SCHEMBL21812656 0.76 LMNA (0.38) NPC1RAB9AL3MBTL1CASP3SENP8
SCHEMBL11779488 0.75 LOXL2 (0.52) HDAC1HDAC6AOC3LOXL2
SCHEMBL2643234 0.74 LOXL2 (0.42) HDAC1HDAC6AOC3LOXL2
SCHEMBL15581369 0.71 CYP1A2 (0.41) NPC1RAB9AL3MBTL1CASP3SENP8
SCHEMBL2643232 0.71 LOXL2 (0.40) HDAC1HDAC6AOC3LOXL2
SCHEMBL17080142 0.69 MAPT (0.44) NPC1RAB9AL3MBTL1KDM4EGAA
SCHEMBL13593122 0.68 CYP1A2 (0.44) NPC1RAB9AL3MBTL1CASP3SENP8
SCHEMBL28752153 0.68 AOC3 (0.52) AOC3NPC1RAB9ATDP1KDM4E
SCHEMBL15581617 0.68 MEN1 (0.41) NPC1RAB9AL3MBTL1CASP3SENP8
SCHEMBL2643105 0.66

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-1326835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-07-16 EP disclosed
WO-2002028835-A1 BENZAMIDE COMPOUNDS AS APO B SECRETION INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2002-04-11 WO disclosed