SCHEMBL9914773

SCHEMBL9914773

CC(C)(C)OC(=O)N/C=C/Br

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 1/20 0.37
NPC1 O15118 1/20 0.37
RECQL P46063 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
DGAT1 O75907 1/20 0.35
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 2/20 0.35
CTSK P43235 3/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
MIF P14174 1/20 0.34
CA12 O43570 2/20 0.33
CA14 Q9ULX7 2/20 0.33
APLNR P35414 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
SCHEMBL6488438 1.00 MAPK10 (0.37) MAPK10NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL12571335 0.86 MAPK10 (0.41) MAPK10NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL15096829 0.86 MAPK10 (0.41) MAPK10NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL28354658 0.80 MAPK10 (0.38) MAPK10NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL22433833 0.80 MAPK10 (0.38) MAPK10NPC1RAB9ASMN1; SMN2TDP1
SCHEMBL8294662 0.80 CTSK (0.43) MAPK10TDP1DGAT1CA1CA2
SCHEMBL8603435 0.80 CTSK (0.43) MAPK10TDP1DGAT1CA1CA2
SCHEMBL16938665 0.80 MAPK10 (0.38) MAPK10NPC1RECQLRAB9ASMN1; SMN2
SCHEMBL8603431 0.80 CTSK (0.43) MAPK10TDP1DGAT1CA1CA2
SCHEMBL221182 0.78 MAPK10 (0.37) MAPK10RAB9ATDP1DGAT1CA1

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-2012075048-A2 HYBRID CYCLIC LIBRARIES AND SCREENS THEREOF THE JOHNS HOPKINS UNIVERSITY (US) 2012-06-07 WO disclosed