SCHEMBL31584751

SCHEMBL31584751

CC1(C)C(=O)Nc2c(I)cc(Cl)cc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.44
PDK2 Q15119 4/20 0.38
PDK4 Q16654 3/20 0.37
PDK1 Q15118 1/20 0.37
PDK3 Q15120 1/20 0.37
EPHX2 P34913 2/20 0.35
ATAD2 Q6PL18 1/20 0.34
AKR1B1 P15121 2/20 0.34
LCK P06239 1/20 0.33
HTR6 P50406 1/20 0.33
MAOB P27338 2/20 0.33
KMT2A Q03164 1/20 0.32
NR3C2 P08235 1/20 0.32
AR P10275 1/20 0.32
CES1 P23141 1/20 0.32

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
SCHEMBL31584932 0.78 EPHX2 (0.35) PGRPDK2PDK4PDK1PDK3
SCHEMBL25316575 0.72 BACE1 (0.35) PGR
SCHEMBL31178347 0.72 BACE1 (0.35) PGR
SCHEMBL26025816 0.70 HTR7 (0.35) HTR6
SCHEMBL24690863 0.70 PDK2 (0.40) PGRPDK2PDK4PDK1PDK3
SCHEMBL25900302 0.70 CYP2D6 (0.36) PGRAKR1B1KMT2A
SCHEMBL24690663 0.68 PDK2 (0.38) PGRPDK2PDK4PDK1PDK3
SCHEMBL31116993 0.68 PDK2 (0.38) PGRPDK2PDK4PDK1PDK3
SCHEMBL1722012 0.67 PGR (0.69) PGRPDK2PDK4ATAD2AKR1B1
SCHEMBL24690866 0.67 EPHX2 (0.40) PGRPDK2PDK4PDK1PDK3

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
WO-2025106863-A1 LACTAM DERIVATIVES FOR INHIBITING NLRP3 AND USES THEREOF VENTUS THERAPEUTICS U.S., INC. (US) 2025-05-22 WO disclosed