SCHEMBL21295801

SCHEMBL21295801

[c]1cc2c(-c3ccncc3)cccc2o1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 1/20 0.44
TNF P01375 1/20 0.38
PIK3CA P42336 2/20 0.36
MAPT P10636 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPK1 P28482 3/20 0.36
LMNA P02545 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HSD17B10 Q99714 2/20 0.36
KDM4E B2RXH2 2/20 0.36
NPC1 O15118 1/20 0.36
HPGD P15428 1/20 0.36
RAB9A P51151 1/20 0.36
HTR6 P50406 1/20 0.35
IMPDH2 P12268 2/20 0.34
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
NOTUM Q6P988 1/20 0.33
MAPK10 P53779 1/20 0.33
EED O75530 1/20 0.32

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
SCHEMBL7460822 0.84 ALDH1A1 (0.37) TNFMAPTALDH1A1MAPK1SMN1; SMN2
SCHEMBL21296073 0.82 CYP11B1 (0.44) TNFPIK3CAMAPTALDH1A1LMNA
SCHEMBL26259561 0.74 PIK3CD (0.61) PIK3CDTNFPIK3CAMAPTALDH1A1
SCHEMBL21295644 0.73 KDM4E (0.42) MAPTALDH1A1MAPK1LMNASMN1; SMN2
SCHEMBL21295980 0.72 NPC1 (0.39) PIK3CDTNFMAPTALDH1A1MAPK1
SCHEMBL30666886 0.71 EED (0.46) PIK3CDTNFPIK3CAMAPTALDH1A1
SCHEMBL29127817 0.71 EED (0.46) PIK3CDTNFPIK3CAMAPTALDH1A1
SCHEMBL21295635 0.67 HSD17B10 (0.43) PIK3CDTNFMAPTALDH1A1MAPK1
SCHEMBL513256 0.66 HPGD (0.38) PIK3CAMAPTALDH1A1LMNASMN1; SMN2
SCHEMBL513244 0.66

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