SCHEMBL28617347

SCHEMBL28617347

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.42
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
GSK3B P49841 1/20 0.35
DYRK1A Q13627 1/20 0.35
LMNA P02545 1/20 0.34
PKM P14618 1/20 0.34
CYP17A1 P05093 2/20 0.34
MAPK13 O15264 1/20 0.34
MAPK12 P53778 1/20 0.34
MAPK11 Q15759 1/20 0.34
ATR Q13535 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
P2RY14 Q15391 1/20 0.34
PTGDR2 Q9Y5Y4 1/20 0.33

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
SCHEMBL28620607 0.89 MAPK14 (0.44) MAPK14MAPTSMN1; SMN2NPSR1NPC1
SCHEMBL21597704 0.82 MAPK14 (0.46) MAPK14MAPTSMN1; SMN2NPC1RAB9A
SCHEMBL27415470 0.81 MAPK14 (0.44) MAPK14MAPTSMN1; SMN2NPSR1NPC1
SCHEMBL28626969 0.80 MAPK14 (0.43) MAPK14MAPTSMN1; SMN2NPSR1NPC1
SCHEMBL6845100 0.79 MAPK14 (0.48) MAPK14MAPTSMN1; SMN2MEN1KMT2A
SCHEMBL21597716 0.78 MAPK14 (0.46) MAPK14GSK3BDYRK1APKMCYP17A1
SCHEMBL21604145 0.77 MAPK14 (0.46) MAPK14SMN1; SMN2MEN1KMT2AGSK3B
SCHEMBL21604120 0.76 CACNB4 (0.43) MAPK14GSK3BDYRK1ACYP17A1BRD9
SCHEMBL35210874 0.76 SMN1; SMN2 (0.57) MAPK14SMN1; SMN2MEN1KMT2AGSK3B
SCHEMBL2175532 0.75 MAPK14 (0.47) MAPK14MAPTSMN1; SMN2GSK3BDYRK1A

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