SCHEMBL16613804

SCHEMBL16613804

c1ccc(-c2cccc(-n3ccc4c3ccc3c5ccccc5n(-c5cc(-c6ccccc6)cc(-c6ccccc6)c5)c34)c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
WNK1 Q9H4A3 2/20 0.39
ATM Q13315 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
KDM4E B2RXH2 1/20 0.38
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
COMT P21964 4/20 0.33
ALDH1A1 P00352 2/20 0.33
HTT P42858 2/20 0.33
FAAH O00519 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
MGLL Q99685 1/20 0.33
MAOB P27338 1/20 0.32
KMT2A Q03164 2/20 0.32
IL1R1 P14778 1/20 0.32
METTL3 Q86U44 1/20 0.31
METTL14 Q9HCE5 1/20 0.31
HTR1A P08908 1/20 0.31
HTR7 P34969 1/20 0.31

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
SCHEMBL20408510 0.95 ATM (0.38) WNK1ATML3MBTL1KDM4EOPRM1
SCHEMBL15213676 0.95 L3MBTL1 (0.40) WNK1ATML3MBTL1KDM4EALDH1A1
SCHEMBL16613856 0.95 L3MBTL1 (0.44) WNK1ATML3MBTL1KDM4EOPRM1
SCHEMBL16613781 0.94 L3MBTL1 (0.38) WNK1ATML3MBTL1KDM4EALDH1A1
SCHEMBL16613779 0.93 L3MBTL1 (0.41) WNK1ATML3MBTL1KDM4EOPRD1
SCHEMBL16613832 0.93 METTL3 (0.35) WNK1ATMOPRM1OPRD1COMT
SCHEMBL16613841 0.93 METTL3 (0.35) WNK1ATMOPRM1OPRD1COMT
SCHEMBL15631999 0.93 L3MBTL1 (0.41) WNK1ATML3MBTL1KDM4EOPRD1
SCHEMBL15684055 0.92 ATM (0.40) WNK1ATML3MBTL1KDM4ECOMT
SCHEMBL15632022 0.92 L3MBTL1 (0.40) WNK1ATML3MBTL1KDM4EALDH1A1

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-2015046981-A2 ORGANIC COMPOUND AND ORGANIC ELECTROLUMINESCENT ELEMENT COMPRISING SAME 주식회사 두산 2015-04-02 WO disclosed