SCHEMBL17033735

SCHEMBL17033735

Clc1cccc(-c2cc(-n3c4ccccc4c4ccc5c(cc6c7ccccc7c7ccccc7n65)c43)nc(-c3cccc(Cl)c3)n2)c1

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NR1I3 Q14994 1/20 0.36
PIK3CA P42336 2/20 0.36
PARP1 P09874 1/20 0.35
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
MAPT P10636 2/20 0.35
LMNA P02545 1/20 0.35
IDO1 P14902 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TGFBR1 P36897 1/20 0.33
ACP1 P24666 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP19A1 P11511 1/20 0.33
GAA P10253 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GFER P55789 1/20 0.32
HRH4 Q9H3N8 1/20 0.32

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
SCHEMBL17033649 0.89 PARP1 (0.37) NR1I3PIK3CAPARP1MEN1KMT2A
SCHEMBL17033485 0.86 PARP1 (0.38) NR1I3PIK3CAPARP1MEN1KMT2A
SCHEMBL17033471 0.86 PIK3CA (0.36) NR1I3PIK3CAPARP1MEN1KMT2A
SCHEMBL17033737 0.85 MAPT (0.41) PIK3CAMEN1KMT2AMAPTLMNA
SCHEMBL17033415 0.83 PARP1 (0.38) NR1I3PIK3CAPARP1MEN1KMT2A
SCHEMBL16066137 0.83 NR1I3 (0.39) NR1I3MEN1KMT2AMAPTLMNA
SCHEMBL16066484 0.81 NR1I3 (0.37) NR1I3MEN1KMT2AMAPTLMNA
SCHEMBL16066708 0.80 NR1I3 (0.36) NR1I3PIK3CAMEN1KMT2AMAPT
SCHEMBL17033421 0.80 KDM4E (0.34)
SCHEMBL16066603 0.79 NR1I3 (0.37) NR1I3PIK3CAMEN1KMT2AMAPT

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
WO-2015125986-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2015-08-27 WO disclosed