SCHEMBL9823937

SCHEMBL9823937

CCOC(=O)c1c(SC)n(-c2ccncc2Cl)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.40
HPGD P15428 4/20 0.40
KDM4E B2RXH2 3/20 0.40
HSD17B10 Q99714 3/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
CASP1 P29466 1/20 0.40
RXFP1 Q9HBX9 1/20 0.39
KMT2A Q03164 3/20 0.38
LMNA P02545 1/20 0.38
GAA P10253 1/20 0.38
PPARG P37231 1/20 0.38
NCOA2 Q15596 1/20 0.38
NCOA1 Q15788 1/20 0.38
MEN1 O00255 1/20 0.37
KDM5A P29375 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34

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
SCHEMBL9824276 0.88 RXFP1 (0.38) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL9824453 0.85 KMT2A (0.45) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL9824154 0.82 KMT2A (0.40) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL9824058 0.81 KDM4E (0.42) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL10770685 0.79 KMT2A (0.41) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL9824034 0.79 KMT2A (0.47) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL9823790 0.79 ALDH1A1 (0.47) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL9824243 0.79 KMT2A (0.41) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL9824318 0.78 KMT2A (0.46) ALDH1A1HPGDKDM4EHSD17B10ALOX15
SCHEMBL9824598 0.76 KMT2A (0.44) ALDH1A1HPGDKDM4EHSD17B10ALOX15

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