SCHEMBL9824566

SCHEMBL9824566

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
MAPT P10636 4/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HTT P42858 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PKM P14618 1/20 0.41
TP53 P04637 3/20 0.41
NPSR1 Q6W5P4 3/20 0.40
GAA P10253 1/20 0.40
HPGD P15428 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
STAT3 P40763 1/20 0.39
THRB P10828 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PRKCZ Q05513 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 0.91 ALDH1A1 (0.47) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9824142 0.91 MEN1 (0.46) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL9824403 0.90 MEN1 (0.45) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9824598 0.87 KMT2A (0.44) PDE4DMEN1KMT2AMAPTCYP1A2
SCHEMBL9824464 0.87 MEN1 (0.44) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9824642 0.83 MEN1 (0.41) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9825145 0.83 MEN1 (0.43) MEN1KMT2AMAPTHTTALDH1A1
SCHEMBL9824260 0.83 MEN1 (0.41) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9824616 0.83 MEN1 (0.43) MEN1KMT2AMAPTCYP1A2CYP2C9
SCHEMBL9824389 0.82 STAT3 (0.44) MEN1KMT2ACYP1A2CYP2C9CYP2C19

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