SCHEMBL19631099

SCHEMBL19631099

CC(C)(C)OC(=O)Nc1nc2c(C(F)(F)F)c(C3CCC3)c(F)cc2s1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LCK P06239 13/20 0.44
RAB9A P51151 3/20 0.40
NPC1 O15118 3/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
BRAF P15056 1/20 0.38
ALDH1A1 P00352 1/20 0.36
NFKB1 P19838 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL19631041 0.83 LCK (0.53) LCKRAB9ANPC1
SCHEMBL19630738 0.76 LCK (0.51) LCKRAB9ANPC1MEN1KMT2A
SCHEMBL19630784 0.76 LCK (0.51) LCKRAB9ANPC1MEN1KMT2A
SCHEMBL19630737 0.73 LCK (0.51) LCK
SCHEMBL19630788 0.72 LCK (0.52) LCKRAB9ANPC1MEN1KMT2A
SCHEMBL30189854 0.70 LCK (0.48) LCKRAB9ANPC1SMN1; SMN2
SCHEMBL19783377 0.70 LCK (0.48) LCKRAB9ANPC1SMN1; SMN2
SCHEMBL19630789 0.70 LCK (0.52) LCKRAB9ANPC1MEN1KMT2A
SCHEMBL28902818 0.69 LCK (0.47) LCKRAB9ANPC1
SCHEMBL30231217 0.69 LCK (0.47) LCKRAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2017201313-A1 NOVEL MITOCHONDRIAL UNCOUPLERS FOR TREATMENT OF METABOLIC DISEASES AND CANCER JIN SHENGKAN (US) 2017-11-23 WO disclosed