SCHEMBL287825

SCHEMBL287825

O=C(NN(CC(=O)c1cccs1)C(=O)C1=CN=CCC1)C1=CN=CC(CC(=O)c2cccs2)C1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
KMT2A Q03164 5/20 0.32
MEN1 O00255 4/20 0.32
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
HPGD P15428 1/20 0.32
KIF11 P52732 6/20 0.31
TDP1 Q9NUW8 1/20 0.31
LMNA P02545 1/20 0.31
TSHR P16473 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
NPC1 O15118 3/20 0.31
RAB9A P51151 3/20 0.31

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
SCHEMBL285705 0.88 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2D6KMT2AMEN1
SCHEMBL287307 0.88 ALDH1A1 (0.39) ALDH1A1CYP1A2CYP2D6KMT2AMEN1
SCHEMBL287278 0.86 ALDH1A1 (0.31) ALDH1A1
SCHEMBL287408 0.82 RAB9A (0.43) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2
SCHEMBL287518 0.77 ALDH1A1 (0.35) ALDH1A1CYP1A2CYP2D6KMT2AMEN1
SCHEMBL287767 0.75 HPGD (0.42) ALDH1A1CYP1A2CYP2D6KMT2AMEN1
SCHEMBL287419 0.75 NPC1 (0.41) ALDH1A1KMT2AMAPTSMN1; SMN2TSHR
SCHEMBL287370 0.74 ALDH1A1 (0.43) ALDH1A1CYP1A2CYP2D6KMT2AMEN1
SCHEMBL287274 0.73 ALDH1A1 (0.33) ALDH1A1CYP1A2CYP2D6KMT2AMEN1
SCHEMBL287813 0.71 ALDH1A1 (0.45) ALDH1A1KMT2AMEN1MAPTSMN1; SMN2

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