SCHEMBL9824934

SCHEMBL9824934

CCOC(=O)c1c(SC)n(-c2ccc(F)cc2F)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 3/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 2/20 0.36
ALOX15 P16050 2/20 0.36
HSD17B10 Q99714 2/20 0.36
STAT3 P40763 1/20 0.36
KDM4E B2RXH2 3/20 0.35
CASP1 P29466 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP2C19 P33261 2/20 0.34
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
CYP2D6 P10635 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 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
SCHEMBL9824753 0.92 MEN1 (0.40) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL9824173 0.89 RXFP1 (0.39) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL9825145 0.89 MEN1 (0.43) ALOX5MEN1KMT2AALDH1A1HPGD
SCHEMBL10577464 0.87 KMT2A (0.38) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL10575881 0.84 ALDH1A1 (0.38) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL9824058 0.84 KDM4E (0.42) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL9824311 0.81 STAT3 (0.40) MEN1KMT2AALDH1A1TSHRHPGD
SCHEMBL9824142 0.81 MEN1 (0.46) MEN1KMT2AALDH1A1HPGDSTAT3
SCHEMBL9824389 0.79 STAT3 (0.44) ALOX5MEN1KMT2AALDH1A1TSHR
SCHEMBL9824262 0.79 ALDH1A1 (0.38) ALOX5MEN1KMT2AALDH1A1TSHR

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