SCHEMBL30661815

SCHEMBL30661815

CC1(C)c2ccccc2Nc2c(F)cccc21

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 5/20 0.48
PDK4 Q16654 3/20 0.48
AKR1B1 P15121 1/20 0.38
PDE7A Q13946 1/20 0.37
HTR5A P47898 3/20 0.37
PDK1 Q15118 1/20 0.34
PDK3 Q15120 1/20 0.34
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
PGR P06401 4/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ACHE P22303 1/20 0.31

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
SCHEMBL24561447 0.78 PDK2 (0.48) PDK2PDK4AKR1B1HTR5APDK1
SCHEMBL17950775 0.78 PDK2 (0.48) PDK2PDK4HTR5APDK1PDK3
SCHEMBL29470920 0.78 PDK2 (0.48) PDK2PDK4HTR5APDK1PDK3
SCHEMBL29371027 0.77 PDK2 (0.67) PDK2PDK4AKR1B1HTR5APOLB
SCHEMBL31911 0.77 PDK2 (0.67) PDK2PDK4AKR1B1HTR5APOLB
SCHEMBL3138211 0.76 PDK2 (0.61) PDK2PDK4AKR1B1PDE7APDK1
SCHEMBL13686010 0.76 AKR1B1 (0.39) PDK2PDK4AKR1B1PDE7AHTR5A
SCHEMBL28706253 0.75 PDK2 (0.64) PDK2PDK4AKR1B1HTR5APOLB
SCHEMBL11532730 0.75 KMT2A (0.46) PDK2PDK4HTR5AKMT2AMEN1
SCHEMBL29640013 0.74 PDK2 (0.41) PDK2PDK4HTR5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117156917-A Sensor-embedded display panel and electronic device 三星电子株式会社 2023-12-01 CN disclosed