SCHEMBL287627

SCHEMBL287627

CS(=O)(=O)NN(CC(=O)c1ccc(Br)cc1)C(=O)C1=CN=CCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC11 Q96DB2 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
HDAC9 Q9UKV0 1/20 0.36
HDAC5 Q9UQL6 1/20 0.36
ALDH1A1 P00352 5/20 0.32
GSK3B P49841 2/20 0.32
KMT2A Q03164 2/20 0.32
NPC1 O15118 2/20 0.32
HPGD P15428 2/20 0.32
LMNA P02545 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32

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
SCHEMBL288036 0.87 POLB (0.39) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL287981 0.72 MAPT (0.30) ALDH1A1KMT2ARAB9ASMN1; SMN2MEN1
SCHEMBL287274 0.68 ALDH1A1 (0.33) ALDH1A1GSK3BKMT2ANPC1HPGD
SCHEMBL287307 0.65 ALDH1A1 (0.39) HDAC1ALDH1A1GSK3BKMT2ANPC1
SCHEMBL286928 0.63 ALDH1A1 (0.34) HDAC1ALDH1A1GSK3BKMT2ANPC1
SCHEMBL1241306 0.60 ALDH1A1 (0.61) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6665311 0.60 HDAC1 (0.53) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL29134454 0.59 GSK3B (0.55) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL11754117 0.58 ALDH1A1 (0.64) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL1305020 0.57 GSK3B (0.70) HDAC3HDAC4HDAC1HDAC7HDAC2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed
EP-2427432-A2 NOVEL HETEROCYCLIC COMPOUNDS Torrent Pharmaceuticals Limited (IN) 2012-03-14 EP disclosed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO disclosed