SCHEMBL21295800

SCHEMBL21295800

[c]1ccc2oc3c(-c4ccccc4)cccc3c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.46
GGPS1 O95749 1/20 0.39
PRKDC P78527 9/20 0.37
CDC14B O60729 1/20 0.37
CDC14A Q9UNH5 1/20 0.37
PIK3CD O00329 4/20 0.36
PIK3CB P42338 4/20 0.36
PIK3CA P42336 3/20 0.36
PIK3CG P48736 3/20 0.36
ALDH1A1 P00352 3/20 0.36
KDM4E B2RXH2 2/20 0.36
BRD4 O60885 2/20 0.36
BRD2 P25440 2/20 0.36
BRD3 Q15059 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
PDE2A O00408 1/20 0.36
PIK3C2A O00443 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3C2B O00750 1/20 0.36
PDE5A O76074 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
SCHEMBL28588278 0.88 ALOX5 (0.46) ALOX5GGPS1PRKDCCDC14BCDC14A
SCHEMBL21879638 0.87 ALOX5 (0.40) ALOX5GGPS1PRKDCPIK3CDPIK3CB
SCHEMBL21879646 0.83 PRKDC (0.43) ALOX5GGPS1PRKDCALDH1A1KDM4E
SCHEMBL10325493 0.82 ALOX5 (0.56) ALOX5GGPS1PRKDCCDC14BCDC14A
SCHEMBL11712766 0.81 ALOX5 (0.63) ALOX5GGPS1PRKDCCDC14BCDC14A
SCHEMBL15987447 0.81 ALOX5 (0.52) ALOX5GGPS1PRKDCCDC14BCDC14A
SCHEMBL28568955 0.80 KDM4E (0.38) ALOX5PRKDCPIK3CDPIK3CBALDH1A1
SCHEMBL21295687 0.79 ADORA3 (0.34) ALOX5CDC14BCDC14AALDH1A1KDM4E
SCHEMBL18698053 0.78 ALOX5 (0.64) ALOX5GGPS1PRKDCCDC14BCDC14A
SCHEMBL12324537 0.78 ALOX5 (0.64) ALOX5GGPS1PRKDCCDC14BCDC14A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109311844-B Triazine compound, method for producing same, and organic electroluminescent element containing same as constituent component 东曹株式会社 2021-07-20 CN disclosed
CN-112912372-A Cyclic azine compound, material for organic electroluminescent element, electron transport material for organic electroluminescent element, and organic electroluminescent element 东曹株式会社 2021-06-04 CN disclosed
WO-2020085319-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, ELECTRON TRANSPORT MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENTS, AND ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2020-04-30 WO disclosed
WO-2019163959-A1 CYCLIC AZINE COMPOUND, MATERIAL FOR ORGANIC ELECTROLUMINESCNET ELEMENT, AND ELECTRON-TRANSPORTING MATERIAL FOR ORGANIC ELECTROLUMINESCENT ELEMENT 東ソー株式会社 2019-08-29 WO disclosed