SCHEMBL21300596

SCHEMBL21300596

[c]1ccc2c(c1)sc1cccc(-c3ccccn3)c12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 8/20 0.37
NPC1 O15118 5/20 0.37
TP53 P04637 5/20 0.37
RAB9A P51151 4/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
ALDH1A1 P00352 3/20 0.37
HSD17B10 Q99714 3/20 0.37
TSHR P16473 1/20 0.37
MAPT P10636 3/20 0.37
GLA P06280 1/20 0.37
MIF P14174 1/20 0.36
GABRA1 P14867 1/20 0.36
TGFBR1 P36897 1/20 0.35
ATM Q13315 1/20 0.35
LMNA P02545 3/20 0.34
CCR1 P32246 2/20 0.34
CCR5 P51681 2/20 0.34
CCR8 P51685 2/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL31614324 0.84 MIF (0.49) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL483885 0.84 MIF (0.49) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL21295907 0.79 MIF (0.44) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL21295721 0.79 LIMK1 (0.40)
SCHEMBL21295709 0.78 PIK3CD (0.35) KDM4ENPC1RAB9A
SCHEMBL28914076 0.75 KDM4E (0.39) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL28573327 0.74 KDM4E (0.38) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL28567091 0.74 KDM4E (0.38) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL21295884 0.74 PIK3CD (0.47) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL28725157 0.73 MIF (0.51) KDM4ENPC1TP53RAB9ASMN1; SMN2

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