SCHEMBL16066422

SCHEMBL16066422

CC1(C)c2ccccc2-c2ccc(-c3ccnc(-c4cccc(-n5c6ccccc6c6cc7c8ccccc8c8nc9ccccc9n8c7cc65)c4)n3)cc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PTK2B Q14289 1/20 0.33
FLT3 P36888 3/20 0.31
BMX P51813 1/20 0.31
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CYP1A2 P05177 1/20 0.30
POLB P06746 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
THRB P10828 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30
HTT P42858 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
SCHEMBL16066843 0.89 MAPT (0.31) MAPTKMT2ANPSR1PTK2B
SCHEMBL16066421 0.88 KDM4E (0.31) MAPTFLT3BMXKDM4EALDH1A1
SCHEMBL16067127 0.86 HPGD (0.35) MAPTKMT2AFLT3BMXKDM4E
SCHEMBL16066431 0.86 KMT2A (0.42) MAPTKMT2ANPSR1PTK2BFLT3
SCHEMBL16066451 0.86 KMT2A (0.41) MAPTKMT2ANPSR1PTK2BKDM4E
SCHEMBL16066420 0.84 KDM4E (0.31) MAPTFLT3BMXKDM4EALDH1A1
SCHEMBL16066424 0.84 HPGD (0.32) MAPTKMT2AFLT3BMXKDM4E
SCHEMBL16066968 0.84 HPGD (0.35) MAPTKMT2AFLT3BMXKDM4E
SCHEMBL16066423 0.81 FLT3 (0.33) MAPTFLT3BMXKDM4EALDH1A1
SCHEMBL17033910 0.81 MAPT (0.31) MAPTKMT2ANPSR1PTK2B

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