SCHEMBL19983027

SCHEMBL19983027

CC(C)(C)OC(=O)NC(=O)COc1c(F)cccc1F

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.39
APLNR P35414 1/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 3/20 0.39
MAPT P10636 2/20 0.39
KDM4E B2RXH2 2/20 0.39
HTT P42858 1/20 0.39
SCN9A Q15858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 1/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 2/20 0.38
HDAC8 Q9BY41 1/20 0.37
TP53 P04637 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL19983031 0.76 SCN9A (0.40) KMT2ASCN9ACTSSCTSKRAB9A
SCHEMBL14988879 0.76 KMT2A (0.48) LMNAKMT2AALDH1A1MAPTKDM4E
SCHEMBL19982963 0.75 CYP3A4 (0.49) KDM4ESCN9A
SCHEMBL19983074 0.74 KMT2A (0.40) LMNAKMT2AHTTSCN9ACTSS
SCHEMBL10020389 0.72 CTSK (0.42) CTSSCTSK
SCHEMBL10052107 0.72 CTSK (0.42) CTSSCTSK
SCHEMBL4832334 0.72 SMN1; SMN2 (0.43) LMNATSHRKMT2AALDH1A1MAPT
SCHEMBL23796281 0.71 SCN9A (0.43) KDM4ESCN9ACTSSCTSK
SCHEMBL19983110 0.71 KMT2A (0.40) KMT2ACTSKRAB9A
SCHEMBL22307832 0.71 HPGD (0.37) LMNAKMT2ACTSK

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-2018053353-A1 KETONE INHIBITORS OF LYSINE GINGIPAIN Cortexyme, Inc. (US) 2018-03-22 WO disclosed