SCHEMBL19775299

SCHEMBL19775299

Cc1ccc(-c2noc(C(F)F)c2C)s1

nearest known ligand 0.32

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GFER P55789 1/20 0.32
HSD17B10 Q99714 1/20 0.32
PTGS1 P23219 2/20 0.31
PTGS2 P35354 2/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
CA7 P43166 1/20 0.31
GAA P10253 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL3248180 0.81 DAO (0.43) NPC1ALDH1A1GAASMN1; SMN2
SCHEMBL11361990 0.78 LMNA (0.38) MAPTNPC1ALDH1A1HSD17B10PTGS1
SCHEMBL20082234 0.77 MAPT (0.34) MAPTNPC1ALDH1A1GFERHSD17B10
SCHEMBL3247200 0.76 HDAC3 (0.44) MAPTNPC1ALDH1A1HSD17B10SMN1; SMN2
SCHEMBL17271417 0.73
SCHEMBL19775120 0.73 PTGS1 (0.35) MAPTNPC1ALDH1A1GFERHSD17B10
SCHEMBL19775149 0.72 PTGS2 (0.32) MAPTNPC1ALDH1A1GFERHSD17B10
SCHEMBL21230309 0.72 PTGS2 (0.32) MAPTNPC1ALDH1A1GFERHSD17B10
SCHEMBL19775385 0.71 NPC1 (0.33) MAPTNPC1ALDH1A1GFERHSD17B10
SCHEMBL14718383 0.70

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3311813-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE CAYMAN LTD (KY) 2019-08-07 EP disclosed
EP-2182809-B1 THERAPEUTIC ISOXAZOLE COMPOUNDS DART NEUROSCIENCE (CAYMAN) LTD (KY) 2018-01-17 EP disclosed