SCHEMBL9824311

SCHEMBL9824311

CCOC(=O)c1c(SC)n(CC)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 1/20 0.40
KDM4E B2RXH2 3/20 0.38
ALDH1A1 P00352 4/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GAA P10253 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
CASP1 P29466 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.33
ADRB2 P07550 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
SCHEMBL9824803 0.86 KDM4E (0.43) STAT3KDM4EALDH1A1KMT2AMEN1
SCHEMBL9825145 0.83 MEN1 (0.43) STAT3ALDH1A1KMT2AMEN1GAA
SCHEMBL9824934 0.81 ALOX5 (0.38) STAT3KDM4EALDH1A1KMT2AMEN1
SCHEMBL9824628 0.81 KMT2A (0.47) KDM4EALDH1A1KMT2AMEN1GAA
SCHEMBL9824096 0.77 KDM4E (0.43) STAT3KDM4EALDH1A1KMT2AMEN1
SCHEMBL9824389 0.77 STAT3 (0.44) STAT3KDM4EALDH1A1KMT2AMEN1
SCHEMBL9824444 0.76 ALDH1A1 (0.47) STAT3KDM4EALDH1A1KMT2AMEN1
SCHEMBL9824142 0.76 MEN1 (0.46) STAT3KDM4EALDH1A1KMT2AMEN1
SCHEMBL9824403 0.75 MEN1 (0.45) STAT3KDM4EALDH1A1KMT2AMEN1
SCHEMBL1570874 0.75 ALDH1A1 (0.47) KDM4EALDH1A1KMT2AMEN1GAA

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