SCHEMBL21295744

SCHEMBL21295744

Cc1ccc2c(c1)oc1c[c]ccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.45
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
CDC25A P30304 1/20 0.38
CDC25C P30307 1/20 0.38
PSMB8 P28062 1/20 0.37
KEAP1 Q14145 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 2/20 0.36
LMNA P02545 1/20 0.36
ALOX15 P16050 1/20 0.36
HTT P42858 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NPC1 O15118 2/20 0.34
KMT2A Q03164 2/20 0.34
RAB9A P51151 1/20 0.34
MEN1 O00255 1/20 0.34
NOS1 P29475 1/20 0.33

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
SCHEMBL1926797 0.87 MAOB (0.40) MAOBALDH1A1GAAHPGDCDC25A
SCHEMBL9927267 0.82 MAOB (0.53) MAOBALDH1A1GAAHPGDCDC25A
SCHEMBL1461411 0.82 KDM4E (0.33) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL2766136 0.78 AHR (0.56) ALDH1A1CDC25ACDC25CPSMB8MAPT
SCHEMBL15195120 0.78 MAOB (0.50) MAOBALDH1A1GAAHPGDCDC25A
SCHEMBL10133853 0.74 MAOB (0.56) MAOBALDH1A1GAAHPGDCDC25A
SCHEMBL1336718 0.74
SCHEMBL10141873 0.74 MAOB (0.47) MAOBALDH1A1GAAHPGDCDC25A
SCHEMBL27212352 0.74 PIM1 (0.40) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL24762 0.72 MAPT (0.46) ALDH1A1GAAHPGDMAPTSMN1; 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