SCHEMBL9825145

SCHEMBL9825145

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

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 3/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
NPSR1 Q6W5P4 2/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
STAT3 P40763 1/20 0.37
ALOX5 P09917 1/20 0.37
APP P05067 1/20 0.37
POLB P06746 1/20 0.37
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36
CHRNA7 P36544 2/20 0.36

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
SCHEMBL9824142 0.92 MEN1 (0.46) MEN1KMT2AMAPTGAAHTT
SCHEMBL9824934 0.89 ALOX5 (0.38) MEN1KMT2AMAPTLMNANPSR1
SCHEMBL9824616 0.89 MEN1 (0.43) MEN1KMT2AMAPTGAAHTT
SCHEMBL9824444 0.86 ALDH1A1 (0.47) MEN1KMT2AMAPTGAAHTT
SCHEMBL9824403 0.85 MEN1 (0.45) MEN1KMT2AMAPTGAAHTT
SCHEMBL9824566 0.83 PDE4D (0.44) MEN1KMT2AMAPTGAAHTT
SCHEMBL10578967 0.83 MEN1 (0.42) MEN1KMT2AMAPTGAAHTT
SCHEMBL9824034 0.83 KMT2A (0.47) MEN1KMT2AMAPTGAAHTT
SCHEMBL9824311 0.83 STAT3 (0.40) MEN1KMT2AGAAHTTLMNA
SCHEMBL9824464 0.82 MEN1 (0.44) MEN1KMT2AMAPTGAAHTT

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