SCHEMBL17033786

SCHEMBL17033786

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccn5)c4)nc(-n4c5ccccc5c5c6cc7c8ccccc8c8ccccc8n7c6ccc54)n3)c2)nc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.34
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
KDM4E B2RXH2 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
NPY5R Q15761 1/20 0.32
NPC1 O15118 2/20 0.32
PKM P14618 2/20 0.32
TSHR P16473 2/20 0.32
RAB9A P51151 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
MCL1 Q07820 2/20 0.31
PIK3CA P42336 1/20 0.31
PIK3CB P42338 1/20 0.31
PIK3CG P48736 1/20 0.31
PRKDC P78527 1/20 0.31
IRAK4 Q9NWZ3 1/20 0.31

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
SCHEMBL17033798 0.92 DHODH (0.35) GRM5KDM4ETDP1NPY5RNPC1
SCHEMBL17033555 0.89 MCL1 (0.34) GRM5HTR1AHTR7KDM4ETDP1
SCHEMBL17033532 0.88 NPY5R (0.36) GRM5HTR1AHTR7KDM4ETDP1
SCHEMBL16066222 0.88 GRM5 (0.33) GRM5HTR1AHTR7KDM4ETDP1
SCHEMBL16066384 0.88 GRM5 (0.33) GRM5HTR1AHTR7KDM4ETDP1
SCHEMBL17033445 0.88 MCL1 (0.35) GRM5HTR1AHTR7KDM4ETDP1
SCHEMBL16066877 0.87 GRM5 (0.33) GRM5HTR1AHTR7KDM4ETDP1
SCHEMBL17033809 0.87 KDM4E (0.31) KDM4ETSHRHSD17B10
SCHEMBL16066218 0.86 GRM5 (0.35) GRM5HTR1AHTR7KDM4ETDP1
SCHEMBL17033800 0.86 DHODH (0.38) KDM4ENPY5RPKMTSHRSMN1; SMN2

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