SCHEMBL21295791

SCHEMBL21295791

[c]1ccc(-c2ccncc2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.43
LMNA P02545 1/20 0.43
PTK2 Q05397 1/20 0.43
TP53 P04637 2/20 0.38
PKM P14618 1/20 0.38
NOTUM Q6P988 1/20 0.37
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
GAA P10253 2/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
HPGD P15428 1/20 0.34
STAT1 P42224 1/20 0.34
KMT2A Q03164 1/20 0.34
HSD17B10 Q99714 1/20 0.34
DDAH1 O94760 1/20 0.33
NOS1 P29475 1/20 0.33
ATAD2 Q6PL18 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
SCHEMBL769225 0.74
SCHEMBL5324357 0.73 ESR1 (0.43) MAPTLMNATP53PKMNPC1
SCHEMBL511124 0.73 KDM4E (0.38) LMNATP53NOTUMNPC1RAB9A
SCHEMBL3608419 0.73 GAA (0.41) MAPTLMNATP53PKMNPC1
SCHEMBL3639025 0.73 HPGD (0.43) NPC1RAB9ASMN1; SMN2HPGD
SCHEMBL5327871 0.72 KIF11 (0.43) NOTUMALDH1A1KIF11CYP1A2CYP3A4
SCHEMBL4417646 0.71
SCHEMBL314750 0.68 EGFR (0.47) MAPTLMNATP53NPC1RAB9A
SCHEMBL17920649 0.67 LMNA (0.56) MAPTLMNAPTK2TP53PKM
SCHEMBL512325 0.67 TSHR (0.46) TP53NPC1RAB9AKDM4ESMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN claimed
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
CN-1829721-A Spiro '1-azabicyclo' 2.2.2! octan-3,5'-oxazolidin - 2'-one! derivatives with affinity to the alpha7 nicotinic acetylcholine receptor ASTRAZENECA AB (SE) 2006-09-06 CN disclosed