SCHEMBL9824616

SCHEMBL9824616

CCOC(=O)c1c(SC)n(-c2ccc(F)cc2)c2c(Cl)c(F)c(F)cc2c1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
NPSR1 Q6W5P4 3/20 0.40
RXFP1 Q9HBX9 1/20 0.40
ALDH1A1 P00352 2/20 0.38
HPGD P15428 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPT P10636 4/20 0.38
GAA P10253 2/20 0.38
HTT P42858 2/20 0.38
LMNA P02545 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
PKM P14618 1/20 0.37
STAT3 P40763 1/20 0.37
POLB P06746 1/20 0.37
CYP1A2 P05177 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
SCHEMBL9824142 0.92 MEN1 (0.46) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL10578967 0.91 MEN1 (0.42) MEN1KMT2ANPSR1RXFP1ALDH1A1
SCHEMBL9824173 0.89 RXFP1 (0.39) MEN1KMT2ANPSR1RXFP1ALDH1A1
SCHEMBL9825145 0.89 MEN1 (0.43) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL9824444 0.86 ALDH1A1 (0.47) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL9824403 0.85 MEN1 (0.45) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL9824566 0.83 PDE4D (0.44) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL9824034 0.83 KMT2A (0.47) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL9824464 0.82 MEN1 (0.44) MEN1KMT2ANPSR1RXFP1ALDH1A1
SCHEMBL9824117 0.82 MEN1 (0.42) MEN1KMT2ANPSR1RXFP1ALDH1A1

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