SCHEMBL28047260

SCHEMBL28047260

C=CC(=O)OCCOc1ccc(-c2nc(-c3ccc(OCC)cc3)nc(-c3ccc(OCC)cc3)n2)c(O)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.47
ADORA3 P0DMS8 1/20 0.42
KMT2A Q03164 6/20 0.41
ATM Q13315 1/20 0.41
MEN1 O00255 5/20 0.40
LMNA P02545 5/20 0.40
MAPK1 P28482 2/20 0.40
TSHR P16473 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 3/20 0.39
TP53 P04637 3/20 0.39
USP2 O75604 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HSP90AA1 P07900 1/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GPR55 Q9Y2T6 1/20 0.39

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
SCHEMBL29664981 0.90 THRB (0.45) THRBKMT2AATMLMNAMAPK1
SCHEMBL225454 0.90 THRB (0.45) THRBKMT2AATMLMNAMAPK1
SCHEMBL16191439 0.89 THRB (0.44) THRBADORA3KMT2AATMMEN1
SCHEMBL13897527 0.88 THRB (0.54) THRBADORA3KMT2AMEN1LMNA
SCHEMBL8517765 0.88 THRB (0.45) THRBKMT2AATMMEN1LMNA
SCHEMBL2240459 0.88 THRB (0.56) THRBADORA3KMT2AMEN1LMNA
SCHEMBL29512550 0.88 THRB (0.56) THRBADORA3KMT2AMEN1LMNA
SCHEMBL4980805 0.88 THRB (0.43) THRBKMT2AMEN1LMNAMAPK1
SCHEMBL28047262 0.86 THRB (0.45) THRBKMT2AATMMEN1MAPK1
SCHEMBL14036387 0.86 THRB (0.41) THRBKMT2AMEN1LMNAMAPK1

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
CN-105340084-A Backsheet for photovoltaic modules AGFA GEVAERT NV 2016-02-17 CN disclosed