SCHEMBL29501064

SCHEMBL29501064

Clc1ccc2c(c1)C1(c3ccccc3-2)c2ccccc2-c2ccc(Br)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 8/20 0.49
AKR1A1 P14550 2/20 0.44
AKR1B1 P15121 2/20 0.44
S100A4 P26447 2/20 0.38
PTPRC P08575 1/20 0.38
OPRM1 P35372 1/20 0.38
OPRD1 P41143 1/20 0.38
GPR3 P46089 1/20 0.37
MDM2 Q00987 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
OPRK1 P41145 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL22106372 1.00 PDK2 (0.49) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL29571230 1.00 PDK2 (0.49) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL21922833 1.00 PDK2 (0.49) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL19168702 0.98 PDK2 (0.47) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL19167872 0.98 PDK2 (0.47) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL20687310 0.93 PDK2 (0.46) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL28406060 0.93 PDK2 (0.50) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL19167328 0.92 PDK2 (0.49) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL19168704 0.92 PDK2 (0.49) PDK2AKR1A1AKR1B1S100A4PTPRC
SCHEMBL19167869 0.92 PDK2 (0.45) PDK2AKR1A1AKR1B1S100A4PTPRC

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-114380803-B Spirobifluorene compound, electron transport composition, and organic electroluminescent device 常州强力电子新材料股份有限公司 2024-07-12 CN disclosed
CN-116156938-A Organic electroluminescent element using double spiro-bifluorene compound 常州强力昱镭光电材料有限公司 2023-05-23 CN disclosed
CN-114380803-A Spirobifluorene compound, electron transport composition and organic electroluminescent device 常州强力昱镭光电材料有限公司 2022-04-22 CN disclosed