SCHEMBL13617494

SCHEMBL13617494

COc1cccc(Nc2cccc(Nc3ccc(OO)nc3)c2)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 6/20 0.52
MTNR1A P48039 4/20 0.52
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
MAPT P10636 2/20 0.51
MAPK1 P28482 2/20 0.51
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
POLB P06746 1/20 0.48
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
SYK P43405 1/20 0.47
EGFR P00533 2/20 0.47
PDE4B Q07343 1/20 0.46
AURKA O14965 1/20 0.46
CYP1A2 P05177 1/20 0.46
PIK3CA P42336 1/20 0.46
PKM P14618 1/20 0.46
HTT P42858 1/20 0.46
ROCK1 Q13464 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
SCHEMBL17364441 0.90 MEN1 (0.55) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL13302353 0.79 MEN1 (0.69) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL1921496 0.78 MTNR1B (0.72) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL1085867 0.78 MEN1 (0.71) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL13550016 0.76 MTNR1B (0.51) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL2112594 0.74 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL30741237 0.74 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL30741242 0.74 KMT2A (0.71) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL9479511 0.74 MTNR1B (0.68) MTNR1BMTNR1AMEN1KMT2AMAPT
SCHEMBL9479608 0.74 MTNR1B (0.68) MTNR1BMTNR1AMEN1KMT2AMAPT

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090275070-A1 Compounds and Methods of Identifying, Synthesizing, Optimizing and Profiling Protein Modulators HOUSEY GERARD M 2009-11-05 US disclosed