SCHEMBL16066413

SCHEMBL16066413

c1cncc(-c2cccc(-n3c4ccccc4c4ccc5c(c6ccccc6n6c7ccccc7nc56)c43)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.42
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
BCL2 P10415 1/20 0.36
KMT2A Q03164 3/20 0.36
CYP1A2 P05177 2/20 0.36
MEN1 O00255 2/20 0.36
CAMKK1 Q8N5S9 2/20 0.36
CAMKK2 Q96RR4 2/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
CASP1 P29466 1/20 0.36
CYP2C19 P33261 1/20 0.36
CASP7 P55210 1/20 0.36
RAD51 Q06609 1/20 0.35
NPC1 O15118 1/20 0.35
CYP3A4 P08684 1/20 0.35
RAB9A P51151 1/20 0.35
POLB P06746 2/20 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
SCHEMBL16066185 0.93 MAPT (0.43) MAPTKDM4EALDH1A1HPGDRAD51
SCHEMBL16066942 0.91 MAPT (0.42) MAPTKDM4EALDH1A1HPGDBCL2
SCHEMBL16066414 0.90 KDM4E (0.39) MAPTKDM4EALDH1A1HPGDBCL2
SCHEMBL16066376 0.90 KDM4E (0.45) MAPTKDM4EALDH1A1HPGDBCL2
SCHEMBL16066749 0.89 MAPT (0.41) MAPTKDM4EALDH1A1HPGDBCL2
SCHEMBL16066363 0.89 MAPT (0.44) MAPTKDM4EALDH1A1HPGDCYP2C9
SCHEMBL16066500 0.88 DHODH (0.41) MAPTKDM4EALDH1A1HPGDBCL2
SCHEMBL16066412 0.87 COMT (0.37) MAPTKDM4EALDH1A1HPGDBCL2
SCHEMBL16066587 0.86 MAPT (0.42) MAPTKDM4EALDH1A1HPGDBCL2
SCHEMBL16066827 0.86 MAPT (0.40) MAPTKDM4EALDH1A1HPGDRAD51

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-2014142488-A1 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT INCLUDING SAME 주식회사 두산 (KR) 2014-09-18 WO disclosed