SCHEMBL15213776

SCHEMBL15213776

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4c5c(ccn5-c5ccccc5)c5ccccc5c43)n2)cc1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.35
KDM4E B2RXH2 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HPGD P15428 2/20 0.35
NQO2 P16083 1/20 0.32
PTGES O14684 2/20 0.32
L3MBTL1 Q9Y468 3/20 0.32
MAPK1 P28482 2/20 0.32
NPSR1 Q6W5P4 2/20 0.32
HTT P42858 1/20 0.32
CYP19A1 P11511 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
CYP1A1 P04798 1/20 0.30
CYP1B1 Q16678 1/20 0.30
EGLN1 Q9GZT9 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
SCHEMBL15213938 0.94 MAPT (0.35) MAPTKDM4EALDH1A1HPGDNQO2
SCHEMBL15213680 0.87 MAPT (0.36) MAPTKDM4EALDH1A1HPGDNQO2
SCHEMBL15213513 0.86 MAPT (0.38) MAPTKDM4EALDH1A1HPGDNQO2
SCHEMBL15213432 0.86 L3MBTL1 (0.34) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL15213784 0.86 MAPT (0.37) MAPTKDM4EALDH1A1HPGDPTGES
SCHEMBL15213725 0.86 MAPT (0.35) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL15213481 0.86 L3MBTL1 (0.32) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL20427099 0.85 MAPT (0.35) MAPTKDM4EALDH1A1HPGDNQO2
SCHEMBL15213923 0.82 L3MBTL1 (0.34) MAPTKDM4EALDH1A1HPGDL3MBTL1
SCHEMBL15213813 0.82 MAPT (0.35) MAPTKDM4EALDH1A1HPGDL3MBTL1

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