SCHEMBL21295798

SCHEMBL21295798

c1cncc(-c2cccc3oc4ccccc4c23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 2/20 0.49
CYP11B2 P19099 1/20 0.48
ALDH1A1 P00352 5/20 0.47
RAB9A P51151 5/20 0.47
KDM4E B2RXH2 3/20 0.47
HPGD P15428 3/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
HSD17B10 Q99714 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2A6 P11509 1/20 0.44
NPC1 O15118 4/20 0.43
TP53 P04637 1/20 0.43
GAA P10253 1/20 0.43
KCNA5 P22460 1/20 0.43
F2 P00734 1/20 0.42
DHPS P49366 1/20 0.42

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
SCHEMBL19165854 0.84 CYP11B1 (0.42) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL21295882 0.84 CYP11B1 (0.43) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL21019646 0.83 CYP11B1 (0.56) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL19165213 0.83 ALDH1A1 (0.43) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL19165739 0.83 CYP11B1 (0.41) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL28575154 0.83 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL28577060 0.83 CYP11B1 (0.39) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL23542895 0.82 ALDH1A1 (0.41) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL19166634 0.82 ALDH1A1 (0.42) CYP11B1CYP11B2ALDH1A1RAB9AKDM4E
SCHEMBL19165787 0.82 CYP11B1 (0.40) CYP11B1ALDH1A1RAB9AKDM4EHPGD

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110256412-B Compound, organic electroluminescent device and display device 武汉天马微电子有限公司 2022-04-05 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