SCHEMBL15213680

SCHEMBL15213680

c1ccc(-c2cc(-c3ccccc3)nc(-n3c4ccc5ccccc5c4c4c5c(ccc43)ccn5-c3ccccc3)n2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.36
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 3/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 4/20 0.33
MAPK1 P28482 3/20 0.33
NPSR1 Q6W5P4 3/20 0.33
PTGES O14684 2/20 0.33
NQO2 P16083 1/20 0.33
HTT P42858 1/20 0.33
CYP1A1 P04798 1/20 0.32
CYP1B1 Q16678 1/20 0.32
TDP1 Q9NUW8 2/20 0.31
EGLN1 Q9GZT9 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
ACHE P22303 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
SCHEMBL15213688 0.90 L3MBTL1 (0.33) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL15213513 0.88 MAPT (0.38) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL15213481 0.88 L3MBTL1 (0.32) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL15213938 0.87 MAPT (0.35) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL15213776 0.87 MAPT (0.35) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL15213685 0.86 MAPT (0.39) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL20314055 0.85 MAPT (0.46) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL20427083 0.84 MAPT (0.35) MAPTALDH1A1KDM4EHPGDL3MBTL1
SCHEMBL15632102 0.84 CYP19A1 (0.30) KDM4EL3MBTL1
SCHEMBL16357501 0.82 CYP19A1 (0.38) MAPTADORA2APOLBALOX12

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