SCHEMBL9824753

SCHEMBL9824753

CCOC(=O)c1c(SC)n(-c2ccc(F)cc2F)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
STAT3 P40763 1/20 0.40
ALOX5 P09917 2/20 0.38
TSHR P16473 5/20 0.38
ALDH1A1 P00352 3/20 0.38
HPGD P15428 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 1/20 0.37
HTT P42858 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 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
SCHEMBL10577464 0.92 KMT2A (0.38) MEN1KMT2ASTAT3ALOX5TSHR
SCHEMBL9824934 0.92 ALOX5 (0.38) MEN1KMT2ASTAT3ALOX5TSHR
SCHEMBL9824173 0.92 RXFP1 (0.39) MEN1KMT2ASTAT3ALOX5TSHR
SCHEMBL9824142 0.88 MEN1 (0.46) MEN1KMT2ASTAT3ALDH1A1HPGD
SCHEMBL10575881 0.87 ALDH1A1 (0.38) MEN1KMT2AALOX5TSHRALDH1A1
SCHEMBL9824058 0.87 KDM4E (0.42) MEN1KMT2AALOX5TSHRALDH1A1
SCHEMBL9824389 0.87 STAT3 (0.44) MEN1KMT2ASTAT3ALOX5TSHR
SCHEMBL9824444 0.84 ALDH1A1 (0.47) MEN1KMT2ASTAT3ALDH1A1HPGD
SCHEMBL9824403 0.83 MEN1 (0.45) MEN1KMT2ASTAT3ALOX5ALDH1A1
SCHEMBL9824464 0.82 MEN1 (0.44) MEN1KMT2ASTAT3TSHRALDH1A1

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 4 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-4880814-A 7-cycloalkyl naphthyridines ABBOTT LABORATORIES (US) 1989-11-14 US 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