SCHEMBL21295673

SCHEMBL21295673

[c]1sc2ccccc2c1-c1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.45
LMNA P02545 3/20 0.45
CCR1 P32246 3/20 0.45
CCR5 P51681 3/20 0.45
CCR8 P51685 3/20 0.45
METAP1 P53582 2/20 0.45
CYP1A2 P05177 1/20 0.45
POLB P06746 1/20 0.45
BLM P54132 1/20 0.45
HIF1A Q16665 1/20 0.45
DOHH Q9BU89 1/20 0.45
P4HTM Q9NXG6 1/20 0.45
MIF P14174 1/20 0.44
GABRA1 P14867 1/20 0.44
NPC1 O15118 6/20 0.42
RAB9A P51151 5/20 0.42
MAPT P10636 2/20 0.42
GLA P06280 1/20 0.42
TP53 P04637 5/20 0.42
SMN1; SMN2 Q16637 4/20 0.42

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
SCHEMBL5877790 0.81 GPR3 (0.33) KDM4EMIFGABRA1NPC1RAB9A
SCHEMBL21295742 0.73 NOTUM (0.40) KDM4ELMNACYP1A2POLBNPC1
SCHEMBL14782179 0.72 PDPK1 (0.46) KDM4ELMNAMETAP1NPC1RAB9A
SCHEMBL3667276 0.71 MAPT (0.42) KDM4ELMNACYP1A2NPC1RAB9A
SCHEMBL2956882 0.71 GPR3 (0.37) LMNAALDH1A1HTT
SCHEMBL21295855 0.69 CYP2A6 (0.45) KDM4ELMNACYP1A2NPC1RAB9A
Triphenylene SCHEMBL29177844 0.69 KDM4E (0.82) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21296070 0.68 MIF (0.44) KDM4ELMNACCR1CCR5CCR8
SCHEMBL21295608 0.68 KDM4E (0.41) KDM4ELMNACCR1CCR5CCR8
SCHEMBL17008146 0.67 KDM4E (0.68) KDM4ELMNACCR1CCR5CCR8

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