SCHEMBL21578710

SCHEMBL21578710

c1ccc(-c2cccc(-c3cccc(-c4cccc(-n5c6ccccc6c6cc7c(cc65)Oc5ccccc5N7c5ccccc5)c4)c3)c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ALDH1A1 P00352 2/20 0.33
FAAH O00519 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PKM P14618 1/20 0.33
HTT P42858 1/20 0.33
MGLL Q99685 1/20 0.33
EDNRB P24530 1/20 0.30
EDNRA P25101 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
SCHEMBL20209199 0.93 ATM (0.38) ATMKDM4EL3MBTL1ALDH1A1FAAH
SCHEMBL23936688 0.91 L3MBTL1 (0.43) ATMKDM4EL3MBTL1ALDH1A1FAAH
SCHEMBL20114095 0.90 ATM (0.37) ATMKDM4EL3MBTL1ALDH1A1FAAH
SCHEMBL21578639 0.90 KDM4E (0.39) ATMKDM4EL3MBTL1ALDH1A1EDNRB
SCHEMBL20114123 0.89 ATM (0.38) ATMKDM4EL3MBTL1ALDH1A1FAAH
SCHEMBL20114592 0.89 ATM (0.38) ATMKDM4EL3MBTL1ALDH1A1FAAH
SCHEMBL20114184 0.88 EDNRA (0.38) ATMKDM4EL3MBTL1ALDH1A1FAAH
SCHEMBL20114105 0.88 ATM (0.37) ATMKDM4EL3MBTL1ALDH1A1FAAH
SCHEMBL20114199 0.86 ATM (0.38) ATMKDM4EL3MBTL1ALDH1A1FAAH
SCHEMBL20114798 0.85 L3MBTL1 (0.40) ATMKDM4EL3MBTL1ALDH1A1HTT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10978642-B2 Mixture, composition and organic electronic device GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2021-04-13 US disclosed
US-20200098992-A1 MIXTURE, COMPOSITION AND ORGANIC ELECTRONIC DEVICE GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2020-03-26 US disclosed
US-20190355911-A1 ORGANIC MIXTURE, ORGANIC COMPOSITION, ORGANIC ELECTRONIC COMPONENT AND PREPARATION METHOD THEREFOR GUANGZHOU CHINARAY OPTOELECTRONIC MATERIALS LTD. (CN) 2019-11-21 US disclosed