SCHEMBL25307705

SCHEMBL25307705

c1ccc(-c2ccc(-c3cccc4c3Cc3ccccc3-4)nc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PNMT P11086 1/20 0.41
KDR P35968 2/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
HSD17B1 P14061 1/20 0.37
HSD17B2 P37059 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
CHEK1 O14757 2/20 0.36
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
DRD3 P35462 1/20 0.36
PDCD1LG2 Q9BQ51 1/20 0.35
CD274 Q9NZQ7 1/20 0.35
HPGDS O60760 1/20 0.35
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AURKA O14965 1/20 0.34

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
SCHEMBL9988299 0.91 PNMT (0.42) PNMTKDRADORA2AADORA1HSD17B1
SCHEMBL28928665 0.80 PNMT (0.50) PNMTKDRADORA2AADORA1NPC1
SCHEMBL20614089 0.77
SCHEMBL29809707 0.76 PNMT (0.53) PNMTKDRADORA2AADORA1NPC1
SCHEMBL70992 0.76 PNMT (0.53) PNMTKDRADORA2AADORA1NPC1
SCHEMBL29401802 0.76 PNMT (0.53) PNMTKDRADORA2AADORA1NPC1
SCHEMBL483647 0.76 PNMT (0.46) PNMTNPC1RAB9ADRD2DRD4
SCHEMBL16919926 0.75 ADORA2A (0.36) KDRADORA2AADORA1NPC1PDCD1LG2
SCHEMBL31413938 0.75 PNMT (0.52) PNMTKDRADORA2AADORA1NPC1
SCHEMBL2594421 0.75 PNMT (0.52) PNMTKDRADORA2AADORA1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4465801-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME, AND DISPLAY DEVICE Mitsubishi Chemical Corporation (JP) 2024-11-20 EP disclosed
US-20240373739-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, METHOD FOR PRODUCING SAME, AND DISPLAY DEVICE MITSUBISHI CHEMICAL CORPORATION (JP) 2024-11-07 US disclosed
CN-118556453-A Iridium complex, composition for organic electroluminescent element, method for producing organic electroluminescent element, and display device 三菱化学株式会社 2024-08-27 CN disclosed
WO-2023136252-A1 IRIDIUM COMPLEX COMPOUND, COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT AND METHOD FOR PRODUCING SAME, AND DISPLAY DEVICE 三菱ケミカル株式会社 2023-07-20 WO disclosed