SCHEMBL287785

SCHEMBL287785

O=C(NCCOC(=O)c1ccccc1)C1=CN=CC(CC(=O)c2ccc(Cl)cc2Cl)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
KMT2A Q03164 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
AGTR1 P30556 2/20 0.37
TMEM97 Q5BJF2 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
HPGD P15428 2/20 0.36
ALDH1A1 P00352 2/20 0.36
RAB9A P51151 4/20 0.36
POLB P06746 1/20 0.35
THRB P10828 1/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
USP2 O75604 1/20 0.35
NPC1 O15118 3/20 0.35
LMNA P02545 3/20 0.35
SLC6A12 P48065 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL286951 0.80 ALDH1A1 (0.37) KMT2AL3MBTL1AGTR1ALDH1A1POLB
SCHEMBL287585 0.79 NPSR1 (0.46) SMN1; SMN2KMT2AHPGDALDH1A1RAB9A
SCHEMBL287807 0.77 ALDH1A1 (0.38) SMN1; SMN2KMT2AHPGDALDH1A1RAB9A
SCHEMBL286991 0.74 SMN1; SMN2 (0.40) SMN1; SMN2KMT2AL3MBTL1AGTR1HPGD
SCHEMBL287282 0.74 TDP1 (0.43) SMN1; SMN2KMT2AL3MBTL1HPGDALDH1A1
SCHEMBL6908873 0.71 SMN1; SMN2 (0.43) SMN1; SMN2KMT2AL3MBTL1AGTR1TMEM97
Bromide SCHEMBL1194178 0.70 GLA (0.46) SMN1; SMN2KMT2AL3MBTL1TMEM97SIGMAR1
Bromide SCHEMBL6909971 0.70 SMN1; SMN2 (0.42) SMN1; SMN2KMT2AL3MBTL1AGTR1TMEM97
SCHEMBL287667 0.69 ALDH1A1 (0.32) SMN1; SMN2KMT2AL3MBTL1ALDH1A1RAB9A
SCHEMBL13100724 0.65 HPGD (0.74) SMN1; SMN2KMT2AHPGDALDH1A1RAB9A

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