SCHEMBL286928

SCHEMBL286928

CC1=C(C(=O)N(CC(=O)c2cccs2)NS(C)(=O)=O)CCC=N1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.34
RAB9A P51151 4/20 0.34
NPC1 O15118 3/20 0.34
POLB P06746 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
LMNA P02545 1/20 0.34
HPGD P15428 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ERCC5 P28715 1/20 0.33
FEN1 P39748 1/20 0.33
CTNNB1 P35222 2/20 0.33
USP2 O75604 1/20 0.33
HDAC1 Q13547 1/20 0.33
WNT3A P56704 1/20 0.33
GSK3B P49841 1/20 0.33
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 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
SCHEMBL287118 0.88 KMT2A (0.33) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL287518 0.82 ALDH1A1 (0.35) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL287418 0.78 ALDH1A1 (0.35) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL287275 0.76 GSK3B (0.36) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL287274 0.71 ALDH1A1 (0.33) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL286738 0.70 KMT2A (0.38) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL287292 0.70 ALDH1A1 (0.34) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL287307 0.68 ALDH1A1 (0.39) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL288004 0.67 ALDH1A1 (0.48) ALDH1A1RAB9ANPC1POLBMEN1
SCHEMBL286788 0.67 MAPT (0.35) ALDH1A1RAB9ANPC1MEN1KMT2A

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