SCHEMBL17864166

SCHEMBL17864166

c1ccc(-c2cc(-n3c4ccccc4c4ccc5c6ccc7ccccc7c6ccc5c43)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
MAPK1 P28482 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
TSHR P16473 1/20 0.45
HSD17B10 Q99714 1/20 0.45
HPGD P15428 4/20 0.44
ADORA2A P29274 1/20 0.38
ADORA1 P30542 1/20 0.38
LMNA P02545 2/20 0.38
NPC1 O15118 1/20 0.38
RECQL P46063 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 3/20 0.37
NTSR1 P30989 1/20 0.37
HTT P42858 1/20 0.36
HPRT1 P00492 1/20 0.36
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL17864179 0.93 MAPT (0.41) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL19037028 0.90 MAPT (0.41) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17864180 0.87 KDM4E (0.37) MAPTMAPK1TSHRHSD17B10HPGD
SCHEMBL22851313 0.86 MAPT (0.42) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17864115 0.86 MAPT (0.42) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17864065 0.86 MAPT (0.42) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL9888999 0.86 MAPT (0.40) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17245352 0.86 MAPT (0.46) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL18996048 0.85 MAPK1 (0.41) MAPTMAPK1NPSR1TSHRHSD17B10
SCHEMBL17033624 0.85 MAPT (0.41) MAPTMAPK1NPSR1TSHRHSD17B10

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-2016099037-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT DEVICE COMPRISING SAME 주식회사 두산 2016-06-23 WO disclosed