SCHEMBL28626969

SCHEMBL28626969

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 2/20 0.43
APLNR P35414 1/20 0.38
GSK3B P49841 1/20 0.36
DYRK1A Q13627 1/20 0.36
NPC1 O15118 1/20 0.36
IDH1 O75874 1/20 0.35
RAB9A P51151 1/20 0.35
CYP17A1 P05093 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
BRD9 Q9H8M2 1/20 0.34
EGLN2 Q96KS0 1/20 0.34
PTGER1 P34995 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA9 Q16790 1/20 0.33
PSMB8 P28062 1/20 0.33
MAP4K4 O95819 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
SCHEMBL21597704 0.83 MAPK14 (0.46) MAPK14GSK3BDYRK1ANPC1RAB9A
SCHEMBL28620607 0.82 MAPK14 (0.44) MAPK14GSK3BDYRK1ANPC1IDH1
SCHEMBL28617347 0.80 MAPK14 (0.42) MAPK14GSK3BDYRK1ANPC1RAB9A
SCHEMBL21597716 0.80 MAPK14 (0.46) MAPK14GSK3BDYRK1ACYP17A1BRD9
SCHEMBL27415470 0.79 MAPK14 (0.44) MAPK14GSK3BDYRK1ANPC1RAB9A
SCHEMBL21604145 0.78 MAPK14 (0.46) MAPK14GSK3BDYRK1ACYP17A1SMN1; SMN2
SCHEMBL21604120 0.77 CACNB4 (0.43) MAPK14GSK3BDYRK1ACYP17A1BRD9
SCHEMBL6845100 0.77 MAPK14 (0.48) MAPK14GSK3BDYRK1ASMN1; SMN2MAPT
SCHEMBL35210874 0.77 SMN1; SMN2 (0.57) MAPK14GSK3BDYRK1ASMN1; SMN2BRD9
SCHEMBL2175532 0.76 MAPK14 (0.47) MAPK14GSK3BDYRK1ACYP17A1SMN1; 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