SCHEMBL287585

SCHEMBL287585

O=C(CC1C=NC=C(C(=O)NCCOC(=O)c2ccccc2)C1)Nc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 7/20 0.40
ALDH1A1 P00352 3/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
EPHX2 P34913 1/20 0.38
MAPT P10636 4/20 0.37
GAA P10253 2/20 0.37
USP2 O75604 1/20 0.37
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
TDP1 Q9NUW8 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
SCHEMBL287807 0.82 ALDH1A1 (0.38) NPSR1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL287785 0.79 SMN1; SMN2 (0.41) NPSR1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL287282 0.74 TDP1 (0.43) SMN1; SMN2ALDH1A1HPGDKMT2AMAPT
SCHEMBL287728 0.69 NPSR1 (0.46) NPSR1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL13100724 0.69 HPGD (0.74) NPSR1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL6227338 0.68 NPSR1 (0.60) NPSR1SMN1; SMN2ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL1194141 0.68 NPSR1 (0.58) NPSR1SMN1; SMN2ALDH1A1HPGDKMT2A
Hydrochloric Acid SCHEMBL1194544 0.66 HSP90AA1 (0.61) NPSR1ALDH1A1HPGD
SCHEMBL18972439 0.65 POLB (0.71) NPSR1SMN1; SMN2ALDH1A1HPGDKMT2A
SCHEMBL7603207 0.65 TDP1 (0.63) NPSR1SMN1; SMN2ALDH1A1HPGDKMT2A

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