SCHEMBL9824034

SCHEMBL9824034

CCOC(=O)c1c(SC)n(-c2ccc(F)cc2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
CASP1 P29466 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MAPT P10636 4/20 0.40
GAA P10253 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PKM P14618 2/20 0.40
POLB P06746 1/20 0.40
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
ALOX5 P09917 1/20 0.40
TP53 P04637 1/20 0.39
THRB P10828 1/20 0.39

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
SCHEMBL9823790 0.94 ALDH1A1 (0.47) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9824318 0.93 KMT2A (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9824598 0.91 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9824453 0.90 KMT2A (0.45) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9824058 0.88 KDM4E (0.42) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL10475527 0.87 KMT2A (0.44) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9824142 0.86 MEN1 (0.46) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9824825 0.86 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL10770685 0.86 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDKDM4E
SCHEMBL9824243 0.85 KMT2A (0.41) KMT2AMEN1ALDH1A1HPGDKDM4E

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