SCHEMBL21295908

SCHEMBL21295908

[c]1cc(-c2ccccn2)c2occc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 8/20 0.43
PKM P14618 7/20 0.43
SMN1; SMN2 Q16637 7/20 0.43
TP53 P04637 6/20 0.43
NPC1 O15118 6/20 0.43
KDM4E B2RXH2 8/20 0.39
LMNA P02545 3/20 0.39
POLB P06746 3/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 1/20 0.39
METAP1 P53582 1/20 0.39
BLM P54132 1/20 0.39
HIF1A Q16665 1/20 0.39
DOHH Q9BU89 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
ALDH1A1 P00352 4/20 0.39
MAPT P10636 4/20 0.39
HSD17B10 Q99714 3/20 0.39

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
SCHEMBL21295663 0.76 SLC22A12 (0.40) TP53KDM4ELMNAPOLBCYP1A2
SCHEMBL21300578 0.75 KDM4E (0.39) RAB9APKMSMN1; SMN2TP53NPC1
SCHEMBL21295662 0.72 DYRK1A (0.41) RAB9APKMSMN1; SMN2TP53NPC1
SCHEMBL21297628 0.72 ALDH1A1 (0.42) RAB9ASMN1; SMN2TP53NPC1KDM4E
SCHEMBL21295929 0.70 NPC1 (0.40) RAB9ASMN1; SMN2TP53NPC1KDM4E
SCHEMBL28451240 0.69 KDM4E (0.70) RAB9APKMSMN1; SMN2TP53NPC1
SCHEMBL21295964 0.69 TP53 (0.40) RAB9APKMSMN1; SMN2TP53NPC1
SCHEMBL28570272 0.69 TP53 (0.43) RAB9APKMSMN1; SMN2TP53NPC1
SCHEMBL24319536 0.67 KDM4E (0.50) RAB9APKMSMN1; SMN2TP53NPC1
SCHEMBL9957898 0.67 KDM4E (0.50) RAB9APKMSMN1; SMN2TP53NPC1

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