SCHEMBL31411583

SCHEMBL31411583

CC1(C)C(=O)Nc2cc(C#N)sc21

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PGR P06401 18/20 0.51
NR3C1 P04150 5/20 0.39
NR3C2 P08235 5/20 0.39
AR P10275 5/20 0.39
PDK2 Q15119 1/20 0.34
PDK4 Q16654 1/20 0.34
ATAD2 Q6PL18 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
SCHEMBL31411707 0.73 PDK2 (0.37) PGRPDK2PDK4ATAD2
SCHEMBL3526645 0.68 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL3524544 0.66 PGR (1.00) PGRNR3C1NR3C2AR
SCHEMBL31411589 0.66 ALDH1A1 (0.40)
SCHEMBL12965826 0.63 PDK2 (0.50) PGRPDK2PDK4ATAD2
SCHEMBL25944404 0.62 PGR (0.71) PGRPDK2PDK4ATAD2
SCHEMBL6072306 0.62 PGR (0.58) PGRPDK2PDK4ATAD2
SCHEMBL31411798 0.62 ELANE (0.52) PGR
SCHEMBL6991418 0.61 CA2 (0.56) PGR
SCHEMBL16858523 0.60 PGR (0.55) PGRNR3C2ARPDK2PDK4

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-119330982-A Azetidine compound and medical application thereof 中国科学院上海药物研究所 2025-01-21 CN disclosed