SCHEMBL9824347

SCHEMBL9824347

CCOC(=O)c1c(Sc2ccccc2)n(C2CC2)c2c(Br)c(F)c(F)cc2c1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRK6 P43250 1/20 0.39
ADRB2 P07550 1/20 0.37
ALOX5 P09917 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TOP2A P11388 5/20 0.35
TOP2B Q02880 5/20 0.35
ENPP2 Q13822 1/20 0.35
MAPT P10636 1/20 0.35
STAT3 P40763 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
TUBB4A P04350 1/20 0.34
TUBB P07437 1/20 0.34
TUBA3C P0DPH7 1/20 0.34
TUBA1B P68363 1/20 0.34
TUBA4A P68366 1/20 0.34
TUBB4B P68371 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
SCHEMBL9209414 0.93 GRK6 (0.39) GRK6ADRB2ALOX5MEN1KMT2A
SCHEMBL9824602 0.90 ENPP2 (0.38) GRK6ADRB2ALOX5ENPP2MAPT
SCHEMBL10577299 0.88 TSHR (0.37) GRK6ADRB2ALOX5MEN1KMT2A
SCHEMBL9824803 0.85 KDM4E (0.43) ALOX5MEN1KMT2AENPP2MAPT
SCHEMBL10573336 0.84 TSHR (0.36) GRK6ADRB2ALOX5MEN1KMT2A
SCHEMBL9824865 0.82 GRK6 (0.42) GRK6ENPP2MAPTSMN1; SMN2NPSR1
SCHEMBL6222050 0.82 STAT3 (0.41) GRK6MEN1KMT2AENPP2MAPT
SCHEMBL10573005 0.81 GRK6 (0.42) GRK6MEN1KMT2ATOP2ATOP2B
SCHEMBL10574090 0.80 CNR1 (0.39) KMT2ATOP2ATOP2BENPP2MAPT
SCHEMBL9824096 0.80 KDM4E (0.43) ALOX5MEN1KMT2AENPP2MAPT

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