SCHEMBL21295964

SCHEMBL21295964

[c]1ccc2ccoc2c1-c1ccccn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 10/20 0.40
RAB9A P51151 10/20 0.40
SMN1; SMN2 Q16637 9/20 0.40
PKM P14618 8/20 0.40
NPC1 O15118 8/20 0.40
KDM4E B2RXH2 9/20 0.39
LMNA P02545 4/20 0.39
POLB P06746 2/20 0.39
CCR1 P32246 2/20 0.39
CCR5 P51681 2/20 0.39
CCR8 P51685 2/20 0.39
CYP1A2 P05177 2/20 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
HSD17B10 Q99714 5/20 0.39
HTT P42858 3/20 0.39
TDP1 Q9NUW8 2/20 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
SCHEMBL21295775 0.76 HTR1A (0.34) TP53KDM4ELMNACYP1A2HSD17B10
SCHEMBL21295952 0.75 KDM4E (0.39) TP53RAB9ASMN1; SMN2PKMNPC1
SCHEMBL7265635 0.73 KDM4E (0.59) TP53RAB9ASMN1; SMN2PKMNPC1
SCHEMBL1033552 0.73 KDM4E (0.48) TP53RAB9ASMN1; SMN2PKMNPC1
SCHEMBL21295724 0.72 DYRK1A (0.41) TP53RAB9ASMN1; SMN2PKMNPC1
SCHEMBL28570272 0.72 TP53 (0.43) TP53RAB9ASMN1; SMN2PKMNPC1
SCHEMBL21295784 0.72 ALDH1A1 (0.42) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL21295769 0.71 LMNA (0.42) TP53RAB9ASMN1; SMN2NPC1KDM4E
SCHEMBL21295946 0.71 KDM4E (0.50) TP53RAB9ASMN1; SMN2PKMNPC1
SCHEMBL21295908 0.69 RAB9A (0.43) TP53RAB9ASMN1; SMN2PKMNPC1

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