SCHEMBL29897946

SCHEMBL29897946

Clc1ccc(-c2ccc3c(c2)C2(c4ccccc4-c4ccccc42)c2cc(-c4ccccc4)ccc2-3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 12/20 0.59
CYP1A2 P05177 1/20 0.52
MEN1 O00255 1/20 0.41
APAF1 O14727 1/20 0.41
NPC1 O15118 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
THRB P10828 1/20 0.41
XBP1 P17861 1/20 0.41
PTBP1 P26599 1/20 0.41
HTT P42858 1/20 0.41
RAB9A P51151 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
SMAD3 P84022 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL28854438 1.00 PDK2 (0.59) PDK2CYP1A2MEN1APAF1NPC1
SCHEMBL12362798 0.96 PDK2 (0.62) PDK2CYP1A2TDP2
SCHEMBL19383292 0.95 PDK2 (0.54) PDK2CYP1A2MEN1APAF1NPC1
SCHEMBL19165482 0.95 PDK2 (0.60) PDK2CYP1A2TDP2
SCHEMBL19167329 0.95 PDK2 (0.60) PDK2CYP1A2TDP2
SCHEMBL22797227 0.92 PDK2 (0.52) PDK2CYP1A2TDP2PGR
SCHEMBL4321761 0.91 PDK2 (0.59) PDK2MEN1APAF1NPC1LMNA
SCHEMBL5859559 0.91 PDK2 (0.59) PDK2MEN1APAF1NPC1LMNA
SCHEMBL25685038 0.91 PDK2 (0.59) PDK2MEN1APAF1NPC1LMNA
SCHEMBL5859662 0.91 PDK2 (0.59) PDK2MEN1APAF1NPC1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115141107-B Compound and organic electroluminescent device, display device 阜阳欣奕华新材料科技股份有限公司 2025-05-02 CN disclosed
WO-2022206829-A1 COMPOUND, ORGANIC ELECTROLUMINESCENT DEVICE AND DISPLAY APPARATUS 阜阳欣奕华材料科技有限公司 2022-10-06 WO disclosed
CN-115141107-A Compound, organic electroluminescent device and display device 阜阳欣奕华材料科技有限公司 2022-10-04 CN disclosed