SCHEMBL9824691

SCHEMBL9824691

CCOC(=O)c1c(SC)n(-c2ccncc2)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 2/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CASP1 P29466 2/20 0.37
HPGD P15428 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 5/20 0.34
GAA P10253 3/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
TP53 P04637 3/20 0.34
CDC7 O00311 2/20 0.34
ROCK2 O75116 1/20 0.34
PIM1 P11309 1/20 0.34
GSK3B P49841 1/20 0.34
HIPK2 Q9H2X6 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 0.92 MEN1 (0.42) MEN1KMT2ANPSR1RXFP1ALDH1A1
SCHEMBL9824262 0.84 ALDH1A1 (0.38) MEN1KMT2ARXFP1ALDH1A1KDM4E
SCHEMBL9824453 0.84 KMT2A (0.45) MEN1KMT2ANPSR1RXFP1ALDH1A1
SCHEMBL9824464 0.83 MEN1 (0.44) MEN1KMT2ANPSR1RXFP1ALDH1A1
SCHEMBL10578764 0.80 MEN1 (0.42) MEN1KMT2ANPSR1ALDH1A1HPGD
SCHEMBL9823937 0.75 ALDH1A1 (0.40) MEN1KMT2ANPSR1RXFP1ALDH1A1
SCHEMBL9824276 0.75 RXFP1 (0.38) MEN1KMT2ANPSR1RXFP1ALDH1A1
SCHEMBL5871944 0.74 MEN1 (0.58) MEN1KMT2AALDH1A1KDM4EHPGD
SCHEMBL9824589 0.74 KDM4E (0.40) ALDH1A1KDM4ECASP1HPGDALOX15
SCHEMBL9824616 0.74 MEN1 (0.43) 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 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