SCHEMBL30021764

SCHEMBL30021764

[Ir+3].c1ccc(-c2nccnc2-c2ccccc2)cc1.c1ccc(-c2nccnc2-c2ccccc2)cc1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.48
NOTUM Q6P988 1/20 0.46
ALDH1A1 P00352 3/20 0.44
KDM4E B2RXH2 2/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
SLC22A12 Q96S37 1/20 0.44
HTR2B P41595 1/20 0.44
HTR5A P47898 1/20 0.44
TDO2 P48775 1/20 0.44
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
ADORA2A P29274 1/20 0.43
PDE3B Q13370 1/20 0.42
PDE3A Q14432 1/20 0.42
CDK5 Q00535 1/20 0.42
CDK5R1 Q15078 1/20 0.42
MAPK1 P28482 2/20 0.41
NPC1 O15118 2/20 0.41

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
SCHEMBL460510 0.97 ALOX15 (0.50) ALOX15NOTUMALDH1A1KDM4ECYP3A4
SCHEMBL27664892 0.97 ALOX15 (0.50) ALOX15NOTUMALDH1A1KDM4ECYP3A4
Hydrochloric Acid SCHEMBL4703144 0.94 ALOX15 (0.48) ALOX15NOTUMALDH1A1KDM4ECYP3A4
SCHEMBL14525863 0.92 ALDH1A1 (0.50) ALOX15NOTUMALDH1A1KDM4ECYP3A4
SCHEMBL14525924 0.92 ALDH1A1 (0.50) ALOX15NOTUMALDH1A1KDM4ECYP3A4
Pyridine SCHEMBL28393899 0.87 NOTUM (0.52) ALOX15NOTUMALDH1A1KDM4ECYP3A4
SCHEMBL12854113 0.85 ALDH1A1 (0.56) ALOX15NOTUMALDH1A1KDM4ECYP3A4
SCHEMBL18449598 0.83 CYP3A4 (0.61) ALOX15ALDH1A1KDM4ECYP3A4MAPT
SCHEMBL28906692 0.83 CYP1A2 (0.61) ALDH1A1KDM4ETDO2ADORA2ANPC1
SCHEMBL30801466 0.83 CYP1A2 (0.61) ALDH1A1KDM4ETDO2ADORA2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023171544-A1 MIXED POWDER, METHOD FOR MANUFACTURING MIXED POWDER, COMPOSITION, ORGANIC ELECTROLUMINESCENT ELEMENT, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2023-09-14 WO disclosed
WO-2023100891-A1 SOLID MOLTEN MIXTURE, SOLID COMPOSITION, MIXED POWDER, METHOD FOR CHOOSING ORGANIC COMPOUND, METHOD FOR PRODUCING SOLID MOLTEN MIXTURE, AND METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2023-06-08 WO disclosed
WO-2023063163-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT, PRODUCTION METHOD THEREFOR, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING SAID MIXED POWDER, METHOD FOR SELECTING COMPOUND IN SAID MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2023-04-20 WO disclosed
WO-2022270430-A1 MIXED POWDER, MIXTURE, AND METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT 出光興産株式会社 2022-12-29 WO disclosed
WO-2022270428-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed
WO-2022270423-A1 MIXED POWDER FOR ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR MANUFACTURING MIXED POWDER, METHOD FOR MANUFACTURING ORGANIC ELECTROLUMINESCENT ELEMENT USING MIXED POWDER, METHOD FOR SELECTING COMPOUND IN MIXED POWDER, AND COMPOSITION FOR VACUUM DEPOSITION 出光興産株式会社 2022-12-29 WO disclosed
WO-2022244864-A1 MIXED POWDER, VAPOR DEPOSITION METHOD FOR ORGANIC COMPOUND, METHOD FOR PRODUCING ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR SELECTING ORGANIC COMPOUND, AND VAPOR DEPOSITION METHOD 出光興産株式会社 2022-11-24 WO disclosed