SCHEMBL17033477

SCHEMBL17033477

c1ccc(-c2cccc(-c3cc(-c4cccc(-c5ccccc5)c4)nc(-n4c5ccccc5c5cc6c(cc54)cc4c5ccccc5c5ccccc5n64)n3)c2)cc1

nearest known ligand 0.31

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPY5R Q15761 1/20 0.31
KDM4E B2RXH2 4/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
HPGD P15428 1/20 0.31
KMT2A Q03164 1/20 0.31
TSPO P30536 1/20 0.31
L3MBTL1 Q9Y468 2/20 0.30
ATM Q13315 1/20 0.30
MAPK1 P28482 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
POLB P06746 1/20 0.30
PARP1 P09874 1/20 0.30
PTGES O14684 1/20 0.30

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
SCHEMBL17033618 0.96 KDM4E (0.33) NPY5RKDM4ETSHRHSD17B10MAPT
SCHEMBL16066207 0.93 TUBB4A (0.32) KDM4EMAPTMEN1ALDH1A1LMNA
SCHEMBL17033502 0.93 L3MBTL1 (0.35) NPY5RKDM4ETSHRHSD17B10MAPT
SCHEMBL17033483 0.93 L3MBTL1 (0.35) NPY5RKDM4ETSHRHSD17B10MAPT
SCHEMBL16067225 0.91 TUBB4A (0.31) KDM4ETSHRHSD17B10
SCHEMBL16066447 0.91 TUBB4A (0.31) KDM4ETSHRHSD17B10
SCHEMBL16067037 0.89 TUBB4A (0.31) KDM4EMAPTMEN1ALDH1A1LMNA
SCHEMBL17033466 0.89 GP6 (0.34) NPY5RKDM4ETSHRHSD17B10TSPO
SCHEMBL17033406 0.89 L3MBTL1 (0.34) NPY5RKDM4ETSHRHSD17B10MAPT
SCHEMBL17033609 0.89 KDM4E (0.35) NPY5RKDM4ETSHRHSD17B10MAPT

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