SCHEMBL4579245

SCHEMBL4579245

CC(=O)Nc1ccc2c(c1)CC(I)C2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BAZ2B Q9UIF8 1/20 0.55
NPC1 O15118 3/20 0.52
RAB9A P51151 3/20 0.52
MAOA P21397 2/20 0.52
CYP1A2 P05177 2/20 0.52
ADRA2A P08913 1/20 0.52
SLC6A2 P23975 1/20 0.52
HTR2C P28335 1/20 0.52
SLC6A4 P31645 1/20 0.52
HTR2B P41595 1/20 0.52
ALDH1A1 P00352 3/20 0.49
MAPT P10636 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
HSP90AA1 P07900 1/20 0.48
TLR9 Q9NR96 1/20 0.48
HPGD P15428 2/20 0.46
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL3811441 0.85 BAZ2B (0.59) BAZ2BNPC1RAB9AMAOACYP1A2
SCHEMBL10905839 0.85 BAZ2B (0.55) BAZ2BNPC1RAB9AMAOACYP1A2
SCHEMBL10908115 0.84 BAZ2B (0.54) BAZ2BNPC1RAB9AMAOACYP1A2
Trimethylammonium SCHEMBL10341484 0.82 BAZ2B (0.56) BAZ2BNPC1RAB9AMAOACYP1A2
SCHEMBL5342349 0.81 BAZ2B (0.55) BAZ2BNPC1RAB9AMAOACYP1A2
SCHEMBL10750989 0.80 BAZ2B (0.50) BAZ2BNPC1RAB9AMAOACYP1A2
SCHEMBL10750981 0.79 ITGB3 (0.51) BAZ2BNPC1RAB9AMAOACYP1A2
SCHEMBL10341519 0.78 BAZ2B (0.48) BAZ2BNPC1RAB9AMAOACYP1A2
SCHEMBL10341491 0.77 NQO2 (0.48) BAZ2BNPC1RAB9AMAOACYP1A2
SCHEMBL5343888 0.77 BAZ2B (0.47) BAZ2BNPC1RAB9AMAOACYP1A2

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-1910338-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM, LLC (BM) 2008-04-16 EP disclosed
WO-2007009120-A2 HETEROTETRACYCLIC COMPOUNDS AS TPO MIMETICS IRM LLC (BM) 2007-01-18 WO disclosed