SCHEMBL6829809

SCHEMBL6829809

CCCCCC1SCC(=O)N1Cc1ccccc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.45
KMT2A Q03164 3/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 5/20 0.41
GRM2 Q14416 1/20 0.40
POLB P06746 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
ACHE P22303 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TSHR P16473 2/20 0.37
TP53 P04637 1/20 0.37
USP2 O75604 1/20 0.37
ALOX15 P16050 1/20 0.37
HSD17B10 Q99714 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37

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
SCHEMBL6824863 0.81 PIM1 (0.46) PIM1KMT2AMEN1ALDH1A1POLB
SCHEMBL6827759 0.79 KMT2A (0.41) KMT2AMEN1ALDH1A1GRM2POLB
SCHEMBL5156138 0.79 PIM1 (0.46) PIM1KMT2AMEN1ALDH1A1POLB
SCHEMBL4859563 0.75 MAPT (0.47) ALDH1A1POLBMAPTNPSR1TP53
SCHEMBL5152891 0.74 PIM1 (0.44) PIM1KMT2AMEN1ALDH1A1POLB
SCHEMBL5152147 0.72 MEN1 (0.65) PIM1KMT2AMEN1ALDH1A1MAPT
SCHEMBL746037 0.71 MEN1 (0.56) PIM1KMT2AMEN1NPSR1ACHE
SCHEMBL745499 0.70 HCRTR2 (0.62) KMT2AMEN1ALDH1A1KDM4E
SCHEMBL9488035 0.68 GRM2 (0.39) KMT2AMEN1ALDH1A1GRM2POLB
SCHEMBL2821971 0.68 GRM2 (0.64) GRM2

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-2004017965-A1 1,3-THIAZOLIN-4-ONES AS THERAPEUTIC COMPOUNDS IN THE TREATMENT OF PAIN IONIX PHARMACEUTICALS LIMITED (GB) 2004-03-04 WO disclosed