SCHEMBL9824276

SCHEMBL9824276

CCOC(=O)c1c(SC)n(-c2ccncc2Cl)c2c(F)c(F)c(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
LMNA P02545 1/20 0.37
GAA P10253 1/20 0.37
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
STAT3 P40763 1/20 0.37
MEN1 O00255 1/20 0.37
KDM4E B2RXH2 2/20 0.36
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TP53 P04637 2/20 0.33
GABRP O00591 1/20 0.33

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
SCHEMBL9823937 0.88 ALDH1A1 (0.40) RXFP1KMT2AALDH1A1HPGDLMNA
SCHEMBL9824464 0.85 MEN1 (0.44) RXFP1KMT2AALDH1A1HPGDGAA
SCHEMBL9824799 0.83 STAT3 (0.38) RXFP1KMT2AALDH1A1HPGDSTAT3
SCHEMBL9824753 0.81 MEN1 (0.40) RXFP1KMT2AALDH1A1HPGDLMNA
SCHEMBL9824642 0.80 MEN1 (0.41) RXFP1KMT2AALDH1A1HPGDGAA
SCHEMBL9824142 0.79 MEN1 (0.46) KMT2AALDH1A1HPGDLMNAGAA
SCHEMBL9824444 0.79 ALDH1A1 (0.47) KMT2AALDH1A1HPGDLMNAGAA
SCHEMBL9824403 0.78 MEN1 (0.45) KMT2AALDH1A1HPGDGAASTAT3
SCHEMBL9824173 0.78 RXFP1 (0.39) RXFP1KMT2AALDH1A1HPGDLMNA
SCHEMBL9824389 0.78 STAT3 (0.44) RXFP1KMT2AALDH1A1HPGDSTAT3

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