SCHEMBL15213727

SCHEMBL15213727

c1ccc(-c2cc(-n3c4c5ccccc5c5ccccc5c4c4c5c(ccn5-c5ccccc5)c5ccccc5c43)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.41
MAPK1 P28482 4/20 0.41
TSHR P16473 2/20 0.41
HSD17B10 Q99714 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
HPGD P15428 4/20 0.40
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
NTSR1 P30989 1/20 0.34
KDM4E B2RXH2 3/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
PDE5A O76074 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.32
GLA P06280 1/20 0.31
ACHE P22303 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
SCHEMBL15213811 0.95 MAPT (0.41) MAPTMAPK1TSHRHSD17B10NPSR1
SCHEMBL15213403 0.89 MAPT (0.40) MAPTMAPK1TSHRHSD17B10NPSR1
SCHEMBL13086963 0.88 MAPT (0.51) MAPTMAPK1TSHRHSD17B10NPSR1
SCHEMBL15213784 0.87 MAPT (0.37) MAPTMAPK1TSHRHSD17B10NPSR1
SCHEMBL15213474 0.86 MAPT (0.38) MAPTMAPK1TSHRHSD17B10NPSR1
SCHEMBL15213725 0.84 MAPT (0.35) MAPTMAPK1TSHRNPSR1HPGD
SCHEMBL15213929 0.84 MAPT (0.40) MAPTMAPK1TSHRHSD17B10NPSR1
SCHEMBL15213946 0.83 MAPT (0.37) MAPTMAPK1TSHRHSD17B10NPSR1
SCHEMBL15213813 0.80 MAPT (0.35) MAPTMAPK1TSHRHSD17B10NPSR1
SCHEMBL17451673 0.78 MAPT (0.45) MAPTMAPK1TSHRHSD17B10NPSR1

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-2013122364-A2 COMPOUND FOR ORGANIC ELECTRICAL ELEMENT, ORGANIC ELECTRICAL ELEMENT COMPRISING SAME, AND ELECTRONIC DEVICE THEREWITH 덕산하이메탈(주) (KR) 2013-08-22 WO disclosed