SCHEMBL15213481

SCHEMBL15213481

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccn(-c6ccccc6)c5c4c4c5ccccc5c5ccccc5c43)n2)cc1

nearest known ligand 0.32

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32
KDM4E B2RXH2 1/20 0.31
EGLN1 Q9GZT9 1/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HPGD P15428 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL15213680 0.88 MAPT (0.36) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL15213688 0.86 L3MBTL1 (0.33) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL15213474 0.86 MAPT (0.38) MAPTMAPK1NPSR1HTTKDM4E
SCHEMBL15213938 0.86 MAPT (0.35) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL15213776 0.86 MAPT (0.35) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL15213813 0.85 MAPT (0.35) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL15213725 0.85 MAPT (0.35) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL15213432 0.83 L3MBTL1 (0.34) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL15213923 0.81 L3MBTL1 (0.34) L3MBTL1MAPTMAPK1NPSR1HTT
SCHEMBL15632102 0.81 CYP19A1 (0.30) L3MBTL1KDM4E

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