SCHEMBL17033406

SCHEMBL17033406

c1ccc(-c2ccc(-c3cc(-c4ccc(-c5ccccc5)cc4)nc(-n4c5ccccc5c5cc6cc7c8ccccc8c8ccccc8n7c6cc54)n3)cc2)cc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.34
MAPT P10636 4/20 0.34
MAPK1 P28482 3/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HTT P42858 1/20 0.34
DHODH Q02127 1/20 0.34
KDM4E B2RXH2 5/20 0.34
HSD17B10 Q99714 3/20 0.34
TSHR P16473 2/20 0.34
NPY5R Q15761 2/20 0.34
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 4/20 0.33
NTSR1 P30989 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
TP53 P04637 1/20 0.32
CYP1A2 P05177 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
SCHEMBL17033609 0.97 KDM4E (0.35) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033502 0.96 L3MBTL1 (0.35) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033483 0.94 L3MBTL1 (0.35) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033618 0.93 KDM4E (0.33) MAPTKDM4EHSD17B10TSHRNPY5R
SCHEMBL17033408 0.91 MAPK1 (0.41) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033477 0.89 NPY5R (0.31) L3MBTL1MAPTMAPK1NPSR1KDM4E
SCHEMBL17033412 0.89 KDM4E (0.34) L3MBTL1MAPTKDM4EHSD17B10TSHR
SCHEMBL17033420 0.89 NPY5R (0.39) MAPTMAPK1NPSR1DHODHKDM4E
SCHEMBL16066962 0.88 L3MBTL1 (0.35) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL17033542 0.87 MAPK1 (0.41) L3MBTL1MAPTMAPK1NPSR1HTT

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