SCHEMBL287767

SCHEMBL287767

O=C(CCC1CCCCC1)NN(CC(=O)c1cccs1)C(=O)C1=CN=CCC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.42
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
ALDH1A1 P00352 6/20 0.40
CASP3 P42574 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 2/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2D6 P10635 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
CYP2C19 P33261 1/20 0.36

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
SCHEMBL287307 0.84 ALDH1A1 (0.39) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL287408 0.79 RAB9A (0.43) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL287518 0.77 ALDH1A1 (0.35) HPGDRAB9ANPC1L3MBTL1MEN1
SCHEMBL287825 0.75 ALDH1A1 (0.34) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL287274 0.75 ALDH1A1 (0.33) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL287419 0.73 NPC1 (0.41) RAB9ANPC1L3MBTL1KMT2AALDH1A1
SCHEMBL286788 0.72 MAPT (0.35) HPGDRAB9ANPC1MEN1KMT2A
SCHEMBL287139 0.71 ALDH1A1 (0.38) HPGDRAB9ANPC1L3MBTL1MEN1
SCHEMBL288004 0.70 ALDH1A1 (0.48) HPGDRAB9ANPC1L3MBTL1MEN1
SCHEMBL287813 0.69 ALDH1A1 (0.45) HPGDRAB9ANPC1MEN1KMT2A

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-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