SCHEMBL7024792

SCHEMBL7024792

COc1cccc(N(c2ccccc2)c2ccc(-c3ccc(-n4c5ccccc5c5cc6c(cc54)c4ccccc4n6-c4ccc(-c5ccc(N(c6ccccc6)c6cccc(OC)c6)cc5)cc4)cc3)cc2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSPO P30536 7/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPT P10636 2/20 0.40
HTT P42858 2/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
HSD17B10 Q99714 1/20 0.40
PER2 O15055 1/20 0.39
CRY1 Q16526 1/20 0.39
CRY2 Q49AN0 1/20 0.39
ATM Q13315 1/20 0.39
EDNRA P25101 1/20 0.37
PPARG P37231 1/20 0.37
GSK3B P49841 1/20 0.36
OXTR P30559 1/20 0.36
NTRK1 P04629 1/20 0.36
IGF1R P08069 1/20 0.36

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
SCHEMBL10315996 0.95 TSPO (0.42) TSPOKDM4EL3MBTL1MAPTHTT
SCHEMBL10315687 0.90 TSPO (0.40) TSPOKDM4EL3MBTL1MAPTHTT
SCHEMBL9912969 0.88 KDM4E (0.45) KDM4EL3MBTL1MAPTHTTMEN1
SCHEMBL9912908 0.88 KDM4E (0.45) KDM4EL3MBTL1MAPTHTTMEN1
SCHEMBL9913019 0.88 NTRK1 (0.42) KDM4EL3MBTL1MAPTHTTMEN1
SCHEMBL9912970 0.88 KDM4E (0.45) KDM4EL3MBTL1MAPTHTTMEN1
SCHEMBL10315950 0.88 TSPO (0.46) TSPOKDM4EL3MBTL1MAPTHTT
SCHEMBL16356555 0.86 OXTR (0.47) TSPOKDM4EL3MBTL1MAPTHTT
SCHEMBL6569778 0.86 L3MBTL1 (0.52) TSPOKDM4EL3MBTL1MAPTHTT
SCHEMBL10309955 0.86 TSPO (0.52) TSPOKDM4EL3MBTL1MAPTHTT

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
EP-0906948-B1 Electroluminescent devices XEROX CORP (US) 2003-02-12 EP claimed
EP-0906948-A1 Electroluminescent devices Xerox Corporation (US) 1999-04-07 EP claimed
EP-0906948-A1 Electroluminescent devices Xerox Corporation (US) 1999-04-07 EP disclosed