SCHEMBL22059445

SCHEMBL22059445

Bc1ccc(-c2ccc3c(c2)C(C)(C)c2ccccc2-3)nc1

nearest known ligand 0.40

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 14/20 0.40
HSD17B1 P14061 1/20 0.33
HSD17B2 P37059 1/20 0.33
BACE1 P56817 1/20 0.32
FEN1 P39748 3/20 0.32
ALOX5AP P20292 2/20 0.32

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
SCHEMBL6236658 0.87 HSD17B1 (0.45) PDK2HSD17B1HSD17B2
SCHEMBL12140657 0.84 HSD17B1 (0.43) PDK2HSD17B1HSD17B2
SCHEMBL19794372 0.84 PDK2 (0.44) PDK2HSD17B1HSD17B2FEN1ALOX5AP
SCHEMBL23018748 0.84 PDK2 (0.37) PDK2HSD17B1HSD17B2BACE1FEN1
SCHEMBL18573402 0.83 PDK2 (0.40) PDK2HSD17B1HSD17B2BACE1FEN1
SCHEMBL21125844 0.82 HSD17B1 (0.44) PDK2HSD17B1HSD17B2FEN1
SCHEMBL21547796 0.82 PDK2 (0.41) PDK2
SCHEMBL17343164 0.82 PDK2 (0.41) PDK2
SCHEMBL12521916 0.82 PDK2 (0.44) PDK2
SCHEMBL19794435 0.81 PDK2 (0.41) PDK2HSD17B1HSD17B2FEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-3507294-B1 BINUCLEAR AND TRINUCLEAR METAL COMPLEXES COMPOSED OF TWO INTER-LINKED TRIPODAL HEXADENTATE LIGANDS FOR USE IN ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2021-02-24 EP disclosed
EP-3526228-B1 METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-11-25 EP disclosed
EP-3515925-B1 BINUCLEAR METAL COMPLEXES FOR USE AS EMITTERS IN ORGANIC ELECTROLUMINESCENT DEVICES MERCK PATENT GMBH (DE) 2020-10-21 EP disclosed
EP-3526227-B1 BINUCLEAR METAL COMPLEXES AND ELECTRONIC DEVICES, IN PARTICULAR ORGANIC ELECTROLUMINESCENT DEVICES CONTAINING SAID METAL COMPLEXES MERCK PATENT GMBH (DE) 2020-06-03 EP disclosed