SCHEMBL21295929

SCHEMBL21295929

[c]1cc(-c2ccccn2)c2oc3ccccc3c2c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.40
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 4/20 0.40
CYP1A2 P05177 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
RAB9A P51151 2/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
HSD17B10 Q99714 2/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
ALOX5 P09917 2/20 0.38
LMNA P02545 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
USP2 O75604 1/20 0.38
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
CCR1 P32246 1/20 0.37
CCR5 P51681 1/20 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
SCHEMBL483218 0.83 ALOX5 (0.50) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL29496934 0.83 ALOX5 (0.50) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL30531494 0.81 ALOX5 (0.49) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL483866 0.81 ALOX5 (0.49) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL28568955 0.80 KDM4E (0.38) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL18771805 0.78 NPC1 (0.41) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL21295707 0.78 ALOX5 (0.38) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL21296091 0.77 KDM4E (0.41) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL21236441 0.77 ALOX5 (0.43) NPC1KDM4EALDH1A1CYP1A2SMN1; SMN2
SCHEMBL21296041 0.76 ALOX5 (0.42) NPC1KDM4EALDH1A1SMN1; SMN2RAB9A

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