SCHEMBL29205149

SCHEMBL29205149

N#CC(=C1CCN(C(=O)N2CCc3sccc3C2)CC1)c1ccc(F)c(F)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 3/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
AKR1C3 P42330 1/20 0.34
PRMT5 O14744 2/20 0.34
WDR77 Q9BQA1 2/20 0.34
POLB P06746 1/20 0.34
MAPT P10636 1/20 0.34
HSD11B1 P28845 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
PROKR1 Q8TCW9 3/20 0.31
CES2 O00748 1/20 0.31
CES1 P23141 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
SCHEMBL30055616 1.00 HSP90AA1 (0.39) HSP90AA1MEN1KMT2AAKR1C3PRMT5
SCHEMBL27166148 0.89 HSP90AA1 (0.39) HSP90AA1MEN1KMT2AAKR1C3PRMT5
SCHEMBL27166122 0.88 HSP90AA1 (0.41) HSP90AA1AKR1C3PRMT5WDR77SLC6A2
SCHEMBL29205181 0.86 PROKR1 (0.42) HSP90AA1AKR1C3PRMT5WDR77POLB
SCHEMBL27166144 0.83 HSP90AA1 (0.41) HSP90AA1PRMT5WDR77SLC6A4PROKR1
SCHEMBL29205179 0.82 HSP90AA1 (0.37) HSP90AA1AKR1C3PRMT5WDR77SLC6A2
SCHEMBL27166096 0.81 PROKR1 (0.47) HSP90AA1PRMT5WDR77HSD11B1PROKR1
SCHEMBL27166125 0.80 NAMPT (0.44) MEN1KMT2AHSD11B1PROKR1
SCHEMBL30055652 0.80 NAMPT (0.44) MEN1KMT2AHSD11B1PROKR1
SCHEMBL30055886 0.79 NAMPT (0.45) MEN1KMT2AHSD11B1PROKR1

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-117794899-A Novel heterocyclic compounds, compositions, methods of preparation and uses thereof 欧加农研发芬兰有限公司 2024-03-29 CN disclosed