SCHEMBL1034530

SCHEMBL1034530

CC(=O)/C=C(/C)O.[Ir].c1ccc(-c2ccccn2)cc1.c1ccc(-c2ccccn2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.46
DHODH Q02127 1/20 0.43
KDM4E B2RXH2 5/20 0.42
ALDH1A1 P00352 4/20 0.42
KMT2A Q03164 1/20 0.42
KDM6B O15054 1/20 0.41
KDM4A O75164 1/20 0.41
KDM5C P41229 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
KDM2A Q9Y2K7 1/20 0.41
KDM3A Q9Y4C1 1/20 0.41
TRPV1 Q8NER1 1/20 0.41
LMNA P02545 2/20 0.41
CYP1A2 P05177 1/20 0.41
POLB P06746 1/20 0.41
CCR1 P32246 1/20 0.41
CCR5 P51681 1/20 0.41
CCR8 P51685 1/20 0.41
METAP1 P53582 1/20 0.41
BLM P54132 1/20 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
SCHEMBL6538329 1.00 CYP2A6 (0.46) CYP2A6DHODHKDM4EALDH1A1KMT2A
Dipyridyl SCHEMBL8776253 0.90 KDM4E (0.52) KDM4EALDH1A1KMT2AKDM6BKDM4A
Acetone SCHEMBL27890173 0.86 CYP2A6 (0.55) CYP2A6DHODHKDM4EALDH1A1KMT2A
SCHEMBL15708631 0.84 CYP2A6 (0.44) CYP2A6DHODHKDM4EALDH1A1KDM6B
Acetone SCHEMBL28141566 0.84 CYP2A6 (0.57) CYP2A6DHODHKDM4EALDH1A1KMT2A
SCHEMBL7094963 0.80 CYP2A6 (0.49) CYP2A6DHODHKDM4EALDH1A1KDM6B
SCHEMBL27755454 0.80 CYP2A6 (0.49) CYP2A6DHODHKDM4EALDH1A1KDM6B
SCHEMBL29355319 0.80 ALDH1A1 (0.39) KDM4EALDH1A1KMT2AKDM6BKDM4A
Acetic Acid SCHEMBL7636726 0.80 CYP2A6 (0.52) CYP2A6DHODHKDM4EALDH1A1KDM6B
Biphenyl SCHEMBL4542040 0.78 MAPT (0.52) KDM4EALDH1A1KMT2ALMNASMN1; 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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1374320-B1 MATERIALS AND DEVICES FOR BLUE PHOSPHORESCENCE BASED ORGANIC LIGHT EMITTING DIODES UNIV PRINCETON (US) 2020-05-06 EP claimed
EP-2276084-A1 Materials and devices for blue phosphorescence based organic light emitting diodes The Trustees of Princeton University (US) 2011-01-19 EP claimed
US-7294849-B2 Materials and devices for blue phosphorescence based organic light emitting diodes THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2007-11-13 US claimed
EP-1374320-A4 MATERIALS AND DEVICES FOR BLUE PHOSPHORESCENCE BASED ORGANIC LIGHT EMITTING DIODES UNIV PRINCETON (US) 2007-04-18 EP claimed
US-20040155238-A1 Materials and devices for blue phosphorescence based organic light emitting diodes NATIONAL SCIENCE FOUNDATION 2004-08-12 US claimed
EP-1374320-A2 MATERIALS AND DEVICES FOR BLUE PHOSPHORESCENCE BASED ORGANIC LIGHT EMITTING DIODES The Trustees of Princeton University (US) 2004-01-02 EP claimed
WO-2002074015-A2 MATERIALS AND DEVICES FOR BLUE PHOSPHORESCENCE BASED ORGANIC LIGHT EMITTING DIODES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2002-09-19 WO claimed
EP-1374320-B1 MATERIALS AND DEVICES FOR BLUE PHOSPHORESCENCE BASED ORGANIC LIGHT EMITTING DIODES UNIV PRINCETON (US) 2020-05-06 EP disclosed
EP-2276084-A1 Materials and devices for blue phosphorescence based organic light emitting diodes The Trustees of Princeton University (US) 2011-01-19 EP disclosed
US-7329984-B2 Organic EL devices KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2008-02-12 US disclosed
US-7294849-B2 Materials and devices for blue phosphorescence based organic light emitting diodes THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2007-11-13 US disclosed
EP-1374320-A4 MATERIALS AND DEVICES FOR BLUE PHOSPHORESCENCE BASED ORGANIC LIGHT EMITTING DIODES UNIV PRINCETON (US) 2007-04-18 EP disclosed
US-20060158104-A1 Organic EL device KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2006-07-20 US disclosed
US-20060125380-A1 Organic EL devices KABUSHIKI KAISHA TOYOTA JIDOSHOKKI (JP) 2006-06-15 US disclosed
EP-1670082-A2 Organic el devices Kabushiki Kaisha Toyota Jidoshokki (JP) 2006-06-14 EP disclosed
EP-1670083-A2 Organic el device Kabushiki Kaisha Toyota Jidoshokki (JP) 2006-06-14 EP disclosed
US-20040155238-A1 Materials and devices for blue phosphorescence based organic light emitting diodes NATIONAL SCIENCE FOUNDATION 2004-08-12 US disclosed
EP-1374320-A2 MATERIALS AND DEVICES FOR BLUE PHOSPHORESCENCE BASED ORGANIC LIGHT EMITTING DIODES The Trustees of Princeton University (US) 2004-01-02 EP disclosed
WO-2002074015-A2 MATERIALS AND DEVICES FOR BLUE PHOSPHORESCENCE BASED ORGANIC LIGHT EMITTING DIODES THE TRUSTEES OF PRINCETON UNIVERSITY (US) 2002-09-19 WO disclosed