SCHEMBL28620607

SCHEMBL28620607

Cn1nc(OC(F)(F)F)cc1NC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.44
NPC1 O15118 1/20 0.39
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GSK3B P49841 1/20 0.37
DYRK1A Q13627 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
PKM P14618 1/20 0.35
CYP17A1 P05093 3/20 0.35
IDH1 O75874 1/20 0.35
BRD9 Q9H8M2 1/20 0.35
PSMB8 P28062 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MAP4K4 O95819 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
SCHEMBL28617347 0.89 MAPK14 (0.42) MAPK14NPC1KCNQ3KCNQ2RAB9A
SCHEMBL21597704 0.84 MAPK14 (0.46) MAPK14NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL27415470 0.83 MAPK14 (0.44) MAPK14NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL28626969 0.82 MAPK14 (0.43) MAPK14NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL21597716 0.81 MAPK14 (0.46) MAPK14GSK3BDYRK1APKMCYP17A1
SCHEMBL21604145 0.80 MAPK14 (0.46) MAPK14SMN1; SMN2GSK3BDYRK1AMEN1
SCHEMBL21604120 0.78 CACNB4 (0.43) MAPK14GSK3BDYRK1ACYP17A1BRD9
SCHEMBL6845100 0.78 MAPK14 (0.48) MAPK14MAPTSMN1; SMN2GSK3BDYRK1A
SCHEMBL35210874 0.78 SMN1; SMN2 (0.57) MAPK14SMN1; SMN2GSK3BDYRK1AMEN1
SCHEMBL19271750 0.77 MAPK14 (0.47) MAPK14NPC1RAB9AMAPTSMN1; SMN2

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
CN-112566910-A Thiophene derivatives for the treatment of IgE induced diseases UCB生物制药有限责任公司 2021-03-26 CN disclosed