SCHEMBL9823988

SCHEMBL9823988

CCOC(=O)c1c(SC)n(N(C)C=O)c2cc(F)c(F)cc2c1=O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.44
KDM4E B2RXH2 5/20 0.38
ALDH1A1 P00352 4/20 0.38
HPGD P15428 3/20 0.38
HSD17B10 Q99714 3/20 0.38
ALOX15 P16050 1/20 0.38
TSHR P16473 1/20 0.38
CASP1 P29466 1/20 0.38
MEN1 O00255 2/20 0.35
RXFP1 Q9HBX9 1/20 0.34
PKM P14618 1/20 0.34
GAA P10253 1/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 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
SCHEMBL9824487 0.86 KMT2A (0.41) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9824628 0.80 KMT2A (0.47) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL5908346 0.77 KMT2A (0.43) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9823790 0.76 ALDH1A1 (0.47) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9824034 0.76 KMT2A (0.47) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9824318 0.75 KMT2A (0.46) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9824058 0.74 KDM4E (0.42) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9824453 0.74 KMT2A (0.45) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9824598 0.73 KMT2A (0.44) KMT2AKDM4EALDH1A1HPGDHSD17B10
SCHEMBL9824825 0.73 KMT2A (0.41) KMT2AKDM4EALDH1A1HPGDHSD17B10

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