SCHEMBL20865202

SCHEMBL20865202

c1ccc(-c2cc(-c3cccc(-c4cccc(-n5c6ccccc6c6ccccc65)c4)c3)cc(-c3cccc(-n4c5ccccc5c5ccccc54)c3)c2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.61
L3MBTL1 Q9Y468 2/20 0.61
KDM4E B2RXH2 1/20 0.61
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
FAAH O00519 1/20 0.44
HSP90AA1 P07900 1/20 0.44
PKM P14618 1/20 0.44
MGLL Q99685 1/20 0.44
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
KMT2A Q03164 3/20 0.41
IL1R1 P14778 1/20 0.41
MEN1 O00255 2/20 0.41
MAPT P10636 1/20 0.41
PDE10A Q9Y233 1/20 0.39
WNK1 Q9H4A3 1/20 0.38
OPRD1 P41143 1/20 0.38
HDAC4 P56524 1/20 0.38
COMT P21964 2/20 0.37

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
SCHEMBL20865200 1.00 ATM (0.61) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL21578473 1.00 ATM (0.61) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL17227951 1.00 ATM (0.61) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL14981712 0.98 ATM (0.59) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL20232191 0.98 ATM (0.59) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL24581896 0.98 ATM (0.59) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL24609415 0.98 ATM (0.59) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL17228760 0.98 ATM (0.63) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL21578652 0.98 ATM (0.63) ATML3MBTL1KDM4EALDH1A1HTT
SCHEMBL21091818 0.98 ATM (0.63) ATML3MBTL1KDM4EALDH1A1HTT

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
US-20190103564-A1 ORGANIC ELECTROLUMINESCENT ELEMENT NIPPON STEEL CHEMICAL & MATERIAL CO., LTD. (JP) 2019-04-04 US disclosed