SCHEMBL21295613

SCHEMBL21295613

[c]1cccc2sc(-c3ccccn3)cc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 11/20 0.50
NPC1 O15118 6/20 0.50
RAB9A P51151 6/20 0.50
MAPT P10636 4/20 0.50
GLA P06280 1/20 0.50
TP53 P04637 4/20 0.41
ALDH1A1 P00352 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HSD17B10 Q99714 2/20 0.41
TSHR P16473 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC2 Q92769 1/20 0.41
HDAC10 Q969S8 1/20 0.41
HDAC11 Q96DB2 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
HDAC9 Q9UKV0 1/20 0.41

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
SCHEMBL4739007 0.80 KDM4E (0.49) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL21295978 0.75 KDM4E (0.50) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL8017981 0.75 ESR1 (0.42) KDM4ENPC1RAB9AMAPTTP53
SCHEMBL403651 0.75 CYP19A1 (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL29415478 0.75 CYP19A1 (0.60) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL28571956 0.74 KDM4E (0.37) KDM4ENPC1RAB9AMAPTHDAC3
SCHEMBL2517455 0.73 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL6230863 0.73 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL30109437 0.73 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA
SCHEMBL29675208 0.73 CYP19A1 (0.59) KDM4ENPC1RAB9AMAPTGLA

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