SCHEMBL7094963

SCHEMBL7094963

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.49
TRPV1 Q8NER1 1/20 0.46
DHODH Q02127 1/20 0.46
CYP1A2 P05177 2/20 0.45
CYP2D6 P10635 1/20 0.45
CYP19A1 P11511 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
APOBEC3G Q9HC16 1/20 0.45
HCAR2 Q8TDS4 1/20 0.45
KAT6A Q92794 1/20 0.45
BAZ2B Q9UIF8 1/20 0.44
KDM6B O15054 1/20 0.44
KDM4A O75164 1/20 0.44
KDM5C P41229 1/20 0.44
KDM4C Q9H3R0 1/20 0.44
KDM2A Q9Y2K7 1/20 0.44
KDM3A Q9Y4C1 1/20 0.44

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
SCHEMBL27755454 1.00 CYP2A6 (0.49) CYP2A6TRPV1DHODHCYP1A2CYP2D6
SCHEMBL28563465 0.98 CYP2A6 (0.50) CYP2A6TRPV1DHODHCYP1A2CYP2D6
SCHEMBL31472281 0.91 CYP2A6 (0.44) CYP2A6TRPV1DHODHCYP1A2CYP2D6
Acetone SCHEMBL27890173 0.89 CYP2A6 (0.55) CYP2A6TRPV1DHODHCYP1A2CYP2D6
SCHEMBL17603282 0.89 KDM4E (0.45) CYP2A6TRPV1DHODHCYP1A2CYP2D6
SCHEMBL1118469 0.89 CYP2A6 (0.45) CYP2A6TRPV1DHODHCYP1A2CYP2D6
Acetoacetic Acid SCHEMBL29708917 0.87 CYP2A6 (0.44) CYP2A6TRPV1DHODHCYP1A2CYP2D6
Acetoacetic Acid SCHEMBL27837260 0.87 CYP2A6 (0.44) CYP2A6TRPV1DHODHCYP1A2CYP2D6
Acetone SCHEMBL28141566 0.87 CYP2A6 (0.57) CYP2A6TRPV1DHODHCYP1A2CYP2D6
SCHEMBL27890172 0.86 CYP2A6 (0.49) CYP2A6TRPV1DHODHCYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112683968-A Preparation and application of electrochemical luminescence sensor for detecting sialylated sugar chain antigen KL-6 iridium nanodots 济南大学 2021-04-20 CN claimed
EP-3214668-B1 WHITE ORGANIC ELECTROLUMINESCENT DEVICE AND PREPARATION METHOD THEREOF CHANGCHUN INST APPLIED CHEMISTRY CAS (CN) 2019-08-21 EP claimed
US-10177324-B2 White organic electroluminescent device and preparation method thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 US claimed
US-20180248138-A1 WHITE ORGANIC ELECTROLUMINESCENT DEVICE AND PREPARATION METHOD THEREOF CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-08-30 US claimed
EP-3214668-A1 WHITE ORGANIC ELECTROLUMINESCENT DEVICE AND PREPARATION METHOD THEREOF Changchun Institute Of Applied Chemistry Chinese Academy Of Sciences (CN) 2017-09-06 EP claimed
CN-112683968-A Preparation and application of electrochemical luminescence sensor for detecting sialylated sugar chain antigen KL-6 iridium nanodots 济南大学 2021-04-20 CN disclosed
EP-3214668-B1 WHITE ORGANIC ELECTROLUMINESCENT DEVICE AND PREPARATION METHOD THEREOF CHANGCHUN INST APPLIED CHEMISTRY CAS (CN) 2019-08-21 EP disclosed
US-10177324-B2 White organic electroluminescent device and preparation method thereof CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2019-01-08 US disclosed
US-20180248138-A1 WHITE ORGANIC ELECTROLUMINESCENT DEVICE AND PREPARATION METHOD THEREOF CHANGCHUN INSTITUTE OF APPLIED CHEMISTRY, CHINESE ACADEMY OF SCIENCES (CN) 2018-08-30 US disclosed
EP-3214668-A1 WHITE ORGANIC ELECTROLUMINESCENT DEVICE AND PREPARATION METHOD THEREOF Changchun Institute Of Applied Chemistry Chinese Academy Of Sciences (CN) 2017-09-06 EP disclosed
US-6576352-B2 Color-converting film and light-emitting apparatus using the same FUJI PHOTO FILM CO., LTD. (JP) 2003-06-10 US disclosed
US-20010028962-A1 Color-converting film and light-emitting apparatus using the same UDC IRELAND LIMITED (IE) 2001-10-11 US disclosed