SCHEMBL30459912

SCHEMBL30459912

CC1(C)C(=O)Nc2cc(F)c(C=O)cc21

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PGR P06401 10/20 0.44
ATAD2 Q6PL18 1/20 0.42
PDK2 Q15119 1/20 0.41
PDK4 Q16654 1/20 0.41
PDE3B Q13370 4/20 0.40
PDE3A Q14432 4/20 0.40
AURKA O14965 1/20 0.37
AURKB Q96GD4 1/20 0.37
PDE4A P27815 3/20 0.35
PDE4B Q07343 3/20 0.35
PDE4C Q08493 3/20 0.35
PDE4D Q08499 3/20 0.35
MAOB P27338 2/20 0.35

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
SCHEMBL29041839 0.85 PGR (0.43) PGRATAD2PDK2PDK4PDE3B
SCHEMBL7825677 0.82 PGR (0.50) PGRATAD2PDK2PDK4PDE3B
SCHEMBL16858573 0.76 PGR (0.46) PGRATAD2PDK2PDK4PDE3B
SCHEMBL6606727 0.74 ALDH1A1 (0.49) PGRATAD2PDK2PDK4PDE3B
SCHEMBL24251754 0.72 PGR (0.49) PGRATAD2PDK2PDK4PDE3B
SCHEMBL29388984 0.72 PGR (0.49) PGRATAD2PDK2PDK4PDE3B
SCHEMBL15577414 0.72 ATAD2 (0.45) PGRATAD2PDK2PDK4PDE3B
SCHEMBL16858523 0.72 PGR (0.55) PGRATAD2PDK2PDK4PDE3B
SCHEMBL30459958 0.72 PGR (0.43) PGRATAD2PDK2PDK4PDE3B
SCHEMBL4891398 0.70 PGR (0.41) PGRATAD2PDK2PDK4PDE3B

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-116457346-A Preparation of indolone derivatives as novel diacylglycerol O-acyltransferase 2 inhibitors 默沙东有限责任公司 2023-07-18 CN disclosed