SCHEMBL27891717

SCHEMBL27891717

CC(C)(CN)NNC(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.42
TDP1 Q9NUW8 1/20 0.38
CA1 P00915 2/20 0.37
CA2 P00918 2/20 0.37
CA7 P43166 2/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
GAA P10253 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
MAPK1 P28482 1/20 0.36
CA12 O43570 2/20 0.35
CA14 Q9ULX7 2/20 0.35
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
CTSK P43235 2/20 0.33
DGAT1 O75907 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
SCHEMBL1407032 0.82 APLNR (0.43) APLNRTDP1CA1CA2CA7
SCHEMBL1437011 0.79 TDP1 (0.40) APLNRTDP1CA1CA2CA7
Hydrochloric Acid SCHEMBL28622640 0.78 TDP1 (0.39) APLNRTDP1CA1CA2CA7
SCHEMBL5073789 0.76 APLNR (0.44) APLNRTDP1CA1CA2CA7
SCHEMBL284141 0.75 APLNR (0.55) APLNRTDP1CA1CA2CA7
SCHEMBL10087239 0.74 APLNR (0.53) APLNRTDP1CA1CA2CA7
SCHEMBL724429 0.74 APLNR (0.38) APLNRTDP1CA1CA2CA7
SCHEMBL759712 0.73 APLNR (0.56) APLNRTDP1CA1CA2CA7
SCHEMBL9079095 0.73 TDP1 (0.51) TDP1CA1CA2MAOAMAOB
SCHEMBL4083189 0.72 APLNR (0.42) APLNRTDP1CA1CA2CA7

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-102753548-A Fused heteroaromatic pyrrolidones as SYK inhibitors TAKAEDA CHEMICAL IND LTD 2012-10-24 CN disclosed