SCHEMBL28560786

SCHEMBL28560786

CC1(C)c2cc(Cl)ccc2-c2c(F)cc(F)cc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.38
PGR P06401 9/20 0.34
AKR1A1 P14550 2/20 0.31
AKR1B1 P15121 2/20 0.31
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
PPOX P50336 1/20 0.30

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
SCHEMBL30431586 1.00 PDK2 (0.38) PDK2PGRAKR1A1AKR1B1HTR2A
SCHEMBL28595037 0.77 PDK2 (0.41) PDK2PGRAKR1A1AKR1B1HTR2A
SCHEMBL1922755 0.76 PDK2 (0.52) PDK2PGRAKR1A1AKR1B1HTR2A
SCHEMBL12377014 0.76 PDK2 (0.38) PDK2PGRAKR1A1AKR1B1HTR2A
SCHEMBL16435208 0.73 PDK2 (0.48) PDK2PGRAKR1A1AKR1B1HTR2A
SCHEMBL27169587 0.72 PDK2 (0.41) PDK2PGRAKR1A1AKR1B1
SCHEMBL12377012 0.71 PGR (0.38) PDK2PGRAKR1A1AKR1B1HTR2A
SCHEMBL17514808 0.71 KMO (0.39) PDK2
SCHEMBL31363013 0.69 PDK2 (0.43) PDK2PGRAKR1A1AKR1B1
SCHEMBL3147109 0.69 ALK (0.38) PDK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778343-B Boron-based organic electroluminescent material and preparation method and application thereof 武汉尚赛光电科技有限公司 2023-07-07 CN disclosed
CN-112778343-A Boron-based organic electroluminescent material and preparation method and application thereof 武汉尚赛光电科技有限公司 2021-05-11 CN disclosed