SCHEMBL17033445

SCHEMBL17033445

c1ccc(-c2cccc(-c3nc(-c4cccc(-c5ccccn5)c4)nc(-n4c5ccccc5c5ccc6c(cc7c8ccccc8c8ccccc8n76)c54)n3)c2)nc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.35
GRM5 P41594 5/20 0.34
PIK3CA P42336 1/20 0.33
PIK3CB P42338 1/20 0.33
PIK3CG P48736 1/20 0.33
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
MAPK14 Q16539 1/20 0.32
NPC1 O15118 1/20 0.32
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PRKDC P78527 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
SCHEMBL17033768 0.92 NPY5R (0.37) MCL1GRM5KDM4ETDP1NPY5R
SCHEMBL17033739 0.92 DHODH (0.35) MCL1GRM5KDM4ETDP1NPY5R
SCHEMBL17033658 0.89 MCL1 (0.37) MCL1GRM5PIK3CAPIK3CBPIK3CG
SCHEMBL17033786 0.88 GRM5 (0.34) MCL1GRM5PIK3CAPIK3CBPIK3CG
SCHEMBL16067179 0.87 MCL1 (0.36) MCL1GRM5PIK3CAPIK3CBPIK3CG
SCHEMBL17033437 0.87 KDM4E (0.31) KDM4EMAPTTSHR
SCHEMBL16067149 0.87 MCL1 (0.37) MCL1GRM5PIK3CAPIK3CBPIK3CG
SCHEMBL17033745 0.86 HTR1A (0.35) MCL1GRM5PIK3CAPIK3CBPIK3CG
SCHEMBL17033532 0.86 NPY5R (0.36) MCL1GRM5PIK3CAPIK3CBPIK3CG
SCHEMBL16066623 0.86 MCL1 (0.35) MCL1GRM5PIK3CAPIK3CBPIK3CG

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