SCHEMBL9824154

SCHEMBL9824154

CCOC(=O)c1c(SC)n(-c2cnccn2)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.37
HPGD P15428 4/20 0.36
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
HSD17B10 Q99714 3/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KDM5A P29375 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
MAT2A P31153 2/20 0.33
RXFP1 Q9HBX9 1/20 0.32
CDC7 O00311 1/20 0.32
DBF4 Q9UBU7 1/20 0.32
ALOX5 P09917 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9824799 0.88 STAT3 (0.38) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9824453 0.83 KMT2A (0.45) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9823937 0.82 ALDH1A1 (0.40) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9824243 0.81 KMT2A (0.41) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9823790 0.79 ALDH1A1 (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9824034 0.79 KMT2A (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9824318 0.78 KMT2A (0.46) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9824058 0.77 KDM4E (0.42) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9824628 0.77 KMT2A (0.47) KMT2AMEN1HPGDKDM4EALDH1A1
SCHEMBL9824598 0.77 KMT2A (0.44) KMT2AMEN1HPGDKDM4EALDH1A1

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