SCHEMBL9824468

SCHEMBL9824468

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 2/20 0.42
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.40
GAA P10253 1/20 0.39
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38

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
SCHEMBL9824096 0.92 KDM4E (0.43) ENPP2KDM4EALDH1A1GAATUBB4A
SCHEMBL10575865 0.91 KDM4E (0.39) ENPP2KDM4EALDH1A1GAATUBB4A
SCHEMBL9824803 0.89 KDM4E (0.43) ENPP2KDM4EALDH1A1GAATUBB4A
SCHEMBL10577525 0.87 GAA (0.41) ENPP2KDM4EALDH1A1GAATUBB4A
SCHEMBL9824602 0.85 ENPP2 (0.38) ENPP2KDM4EALDH1A1RXFP1HPGD
SCHEMBL9824589 0.82 KDM4E (0.40) ENPP2KDM4EALDH1A1GAAHPGD
SCHEMBL9209414 0.79 GRK6 (0.39) ENPP2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL10576893 0.78 KDM4E (0.39) KDM4EALDH1A1GAATUBB4ATUBB
SCHEMBL10573336 0.77 TSHR (0.36) ENPP2KDM4EALDH1A1HPGDALOX15
SCHEMBL9824347 0.76 GRK6 (0.39) ENPP2TUBB4ATUBBTUBA3CTUBA1B

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