SCHEMBL21295769

SCHEMBL21295769

[c]1ccc2c(oc3ccccc32)c1-c1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.42
NPC1 O15118 4/20 0.42
RAB9A P51151 3/20 0.42
KMT2A Q03164 2/20 0.42
MEN1 O00255 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 1/20 0.42
KDM4E B2RXH2 5/20 0.41
ALDH1A1 P00352 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CYP1A2 P05177 3/20 0.41
HPGD P15428 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TP53 P04637 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LIMK1 P53667 1/20 0.39
POLB P06746 1/20 0.38
CCR1 P32246 1/20 0.38
CCR5 P51681 1/20 0.38

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
SCHEMBL21300533 0.82 KDM4E (0.42) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL21296099 0.79 LMNA (0.39) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL28563984 0.78 ALOX5 (0.42) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL29496934 0.74 ALOX5 (0.50) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL483218 0.74 ALOX5 (0.50) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL483866 0.73 ALOX5 (0.49) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL30531494 0.73 ALOX5 (0.49) LMNANPC1RAB9AKMT2AMEN1
SCHEMBL7265635 0.72 KDM4E (0.59) LMNANPC1RAB9AHTTKDM4E
SCHEMBL1033552 0.72 KDM4E (0.48) LMNANPC1RAB9AHTTKDM4E
SCHEMBL21295929 0.72 NPC1 (0.40) LMNANPC1RAB9AKMT2AMEN1

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