SCHEMBL9824403

SCHEMBL9824403

CCOC(=O)c1c(SC)n(-c2ccc(O)cc2)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 3/20 0.39
MAPT P10636 3/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
HPGD P15428 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CHEK1 O14757 1/20 0.38
AURKA O14965 1/20 0.38
NTRK1 P04629 1/20 0.38
FYN P06241 1/20 0.38
MET P08581 1/20 0.38
PDGFRB P09619 1/20 0.38
PIM1 P11309 1/20 0.38
FGFR1 P11362 1/20 0.38
PDGFRA P16234 1/20 0.38
LTK P29376 1/20 0.38

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
SCHEMBL9824444 0.93 ALDH1A1 (0.47) MEN1KMT2ASTAT3HTTNPSR1
SCHEMBL9824142 0.93 MEN1 (0.46) MEN1KMT2ASTAT3HTTNPSR1
SCHEMBL9824566 0.90 PDE4D (0.44) MEN1KMT2ASTAT3HTTNPSR1
SCHEMBL9824464 0.89 MEN1 (0.44) MEN1KMT2ASTAT3HTTNPSR1
SCHEMBL9824318 0.87 KMT2A (0.46) MEN1KMT2ANPSR1MAPTALDH1A1
SCHEMBL9825145 0.85 MEN1 (0.43) MEN1KMT2ASTAT3HTTNPSR1
SCHEMBL9824616 0.85 MEN1 (0.43) MEN1KMT2ASTAT3HTTNPSR1
SCHEMBL9824260 0.85 MEN1 (0.41) MEN1KMT2ASTAT3HTTNPSR1
SCHEMBL9824642 0.85 MEN1 (0.41) MEN1KMT2ASTAT3HTTNPSR1
SCHEMBL9824389 0.83 STAT3 (0.44) MEN1KMT2ASTAT3HTTNPSR1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0227088-B1 ISOXAZOLO-NAPHTHYRIDINE, ISOXAZOLO QUINOLINE, ISOTHIAZOLONAPHTHYRIDINE, AND ISOTHIAZOLOQUINOLINE DERIVATIVES ABBOTT LABORATORIES (US) 1991-08-07 EP disclosed
US-4767762-A Tricyclic quinoline and naphthyride antibacterials ABBOTT LABORATORIES (US) 1988-08-30 US disclosed
EP-0227088-A1 Isoxazolo-naphthyridine, isoxazolo quinoline, isothiazolonaphthyridine, and isothiazoloquinoline derivatives ABBOTT LABORATORIES (US) 1987-07-01 EP disclosed