SCHEMBL9824262

SCHEMBL9824262

CCOC(=O)c1c(SC)n(-c2ccc(F)cc2F)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.38
TSHR P16473 4/20 0.38
HPGD P15428 3/20 0.38
KDM4E B2RXH2 3/20 0.38
ALOX15 P16050 2/20 0.38
HSD17B10 Q99714 2/20 0.38
CASP1 P29466 1/20 0.38
GLA P06280 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 5/20 0.37
RXFP1 Q9HBX9 1/20 0.37
THRB P10828 1/20 0.37
ALOX5 P09917 1/20 0.36
LMNA P02545 3/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 2/20 0.34
HTT P42858 1/20 0.34
PPARG P37231 1/20 0.34
NCOA2 Q15596 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
SCHEMBL9824117 0.89 MEN1 (0.42) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL10579100 0.88 GLA (0.37) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL9824691 0.84 MEN1 (0.42) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL9824058 0.83 KDM4E (0.42) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL9824173 0.83 RXFP1 (0.39) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL9824753 0.82 MEN1 (0.40) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL10575881 0.81 ALDH1A1 (0.38) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL10577464 0.79 KMT2A (0.38) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL9824934 0.79 ALOX5 (0.38) ALDH1A1TSHRHPGDKDM4EALOX15
SCHEMBL3236130 0.78 KMT2A (0.48) ALDH1A1TSHRHPGDKDM4EHSD17B10

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