SCHEMBL287408

SCHEMBL287408

O=C(NN(CC(=O)c1cccs1)C(=O)C1=CN=CCC1)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.43
KMT2A Q03164 4/20 0.40
NPC1 O15118 4/20 0.40
MEN1 O00255 2/20 0.40
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
ALDH1A1 P00352 7/20 0.38
MAPT P10636 4/20 0.38
ALOX12 P18054 1/20 0.38
HPGD P15428 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TP53 P04637 1/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 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 0.94 ALDH1A1 (0.39) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL287825 0.82 ALDH1A1 (0.34) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL287518 0.82 ALDH1A1 (0.35) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL287419 0.80 NPC1 (0.41) RAB9AKMT2ANPC1ALDH1A1MAPT
SCHEMBL287767 0.79 HPGD (0.42) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL287274 0.78 ALDH1A1 (0.33) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL286788 0.77 MAPT (0.35) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL287813 0.76 ALDH1A1 (0.45) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL287139 0.76 ALDH1A1 (0.38) RAB9AKMT2ANPC1MEN1ALDH1A1
SCHEMBL288004 0.75 ALDH1A1 (0.48) RAB9AKMT2ANPC1MEN1ALDH1A1

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 claimed
WO-2010128528-A2 NOVEL HETEROCYCLIC COMPOUNDS TORRENT PHARMACEUTICALS LIMITED (IN) 2010-11-11 WO claimed