SCHEMBL9824602

SCHEMBL9824602

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.38
GRK6 P43250 1/20 0.37
ADRB2 P07550 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ALDH1A1 P00352 2/20 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
MAPT P10636 2/20 0.35
STAT3 P40763 1/20 0.35
ALOX5 P09917 1/20 0.34
TP53 P04637 1/20 0.34
THRB P10828 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 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) ENPP2GRK6ADRB2NPC1RAB9A
SCHEMBL10573336 0.91 TSHR (0.36) ENPP2GRK6ADRB2NPC1RAB9A
SCHEMBL9824347 0.90 GRK6 (0.39) ENPP2GRK6ADRB2NPC1RAB9A
SCHEMBL10577299 0.88 TSHR (0.37) ENPP2GRK6ADRB2NPC1RAB9A
SCHEMBL9824468 0.85 ENPP2 (0.42) ENPP2RXFP1ALDH1A1TSHRKDM4E
SCHEMBL9824865 0.83 GRK6 (0.42) ENPP2GRK6NPC1RAB9AALDH1A1
SCHEMBL6222050 0.82 STAT3 (0.41) ENPP2GRK6NPC1RAB9AALDH1A1
SCHEMBL10574090 0.80 CNR1 (0.39) ENPP2ALDH1A1KDM4EHPGDHSD17B10
SCHEMBL9824096 0.80 KDM4E (0.43) ENPP2ALDH1A1KDM4EMAPTSTAT3
SCHEMBL10573005 0.79 GRK6 (0.42) GRK6NPC1RAB9AALDH1A1TSHR

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