SCHEMBL9824865

SCHEMBL9824865

CCOC(=O)c1c(Sc2ccccc2)n(C2CC2)c2nc(Cl)c(F)cc2c1=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.42
MAPT P10636 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE7A Q13946 1/20 0.36
ENPP2 Q13822 1/20 0.35
ALDH1A1 P00352 3/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
CASP1 P29466 1/20 0.35
HSD17B10 Q99714 1/20 0.35
PIK3CA P42336 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 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
SCHEMBL10573005 0.89 GRK6 (0.42) GRK6MAPTNPSR1SMN1; SMN2PDE4A
SCHEMBL9824589 0.86 KDM4E (0.40) MAPTSMN1; SMN2ENPP2ALDH1A1TSHR
SCHEMBL9824602 0.83 ENPP2 (0.38) GRK6MAPTNPSR1ENPP2ALDH1A1
SCHEMBL9209414 0.83 GRK6 (0.39) GRK6MAPTNPSR1SMN1; SMN2ENPP2
SCHEMBL10573336 0.82 TSHR (0.36) GRK6MAPTNPSR1ENPP2ALDH1A1
SCHEMBL9824347 0.82 GRK6 (0.39) GRK6MAPTNPSR1SMN1; SMN2ENPP2
SCHEMBL10577299 0.80 TSHR (0.37) GRK6MAPTNPSR1ENPP2ALDH1A1
SCHEMBL6222050 0.75 STAT3 (0.41) GRK6MAPTNPSR1SMN1; SMN2ENPP2
SCHEMBL10576893 0.74 KDM4E (0.39) MAPTNPSR1SMN1; SMN2ALDH1A1TSHR
SCHEMBL6168683 0.74 EEF2K (0.35) MAPTALDH1A1KDM4EHPGDHSD17B10

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