SCHEMBL17861228

SCHEMBL17861228

c1ccc(-c2cc(-n3c(-c4ccc(-c5ccc(-n6c7ccccc7c7ccccc76)cc5)cc4)cc4ccccc43)nc(-c3ccccc3)n2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HAO1 Q9UJM8 1/20 0.43
▸ APP P05067 1/20 0.42
▸ MAPT P10636 5/20 0.41
▸ MAPK1 P28482 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ HPGD P15428 4/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.39
▸ KDM4E B2RXH2 3/20 0.39
▸ ATM Q13315 1/20 0.39
▸ KMT2A Q03164 5/20 0.37
▸ MEN1 O00255 3/20 0.37
▸ ALDH1A1 P00352 3/20 0.37
▸ NTSR1 P30989 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.35
▸ ADORA2A P29274 1/20 0.35
▸ ADORA1 P30542 1/20 0.35
▸ HDAC4 P56524 1/20 0.34
▸ HTT P42858 2/20 0.33

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
SCHEMBL17861258 0.94 MAPT (0.39) HAO1APPMAPTMAPK1NPSR1
SCHEMBL17861256 0.92 MAPT (0.39) HAO1APPMAPTMAPK1NPSR1
SCHEMBL17861283 0.89 HAO1 (0.44) HAO1APPMAPTMAPK1TSHR
SCHEMBL17861236 0.89 HAO1 (0.44) HAO1APPMAPTMAPK1TSHR
SCHEMBL17861246 0.88 MAPT (0.41) HAO1APPMAPTMAPK1NPSR1
SCHEMBL17861237 0.86 MAPT (0.40) HAO1APPMAPTMAPK1NPSR1
SCHEMBL17861233 0.85 HAO1 (0.46) HAO1APPMAPTTSHRHSD17B10
SCHEMBL17861238 0.85 APP (0.47) HAO1APPMAPTMAPK1TSHR
SCHEMBL17861271 0.85 HAO1 (0.45) HAO1APPMAPTNPSR1TSHR
SCHEMBL23370455 0.84 MAPT (0.44) 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-2016099204-A2 NOVEL COMPOUND AND ORGANIC LIGHT EMITTING ELEMENT COMPRISING SAME 주식회사 동진쎄미켐 2016-06-23 — — WO disclosed
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