SCHEMBL28071109

SCHEMBL28071109

NC(=O)c1cnc2c(c1)C=CCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NNMT P40261 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.36
PSMD14 O00487 1/20 0.34
STAMBP O95630 1/20 0.34
COPS5 Q92905 1/20 0.34
HPGDS O60760 2/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP11B2 P19099 1/20 0.31

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
SCHEMBL27985376 0.80 MAPK1 (0.41) PSMD14LMNAKDM4EL3MBTL1CYP11B2
SCHEMBL17675123 0.74 NNMT (0.49) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL27985375 0.71 GLA (0.40) LMNAKDM4E
SCHEMBL24233687 0.70
SCHEMBL16495711 0.70 NNMT (0.56) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL5672576 0.70 KDM1A (0.45) KDM4E
SCHEMBL30445575 0.70 NNMT (0.51) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL16112727 0.70 NNMT (0.38) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL17675163 0.68 NNMT (0.58) NNMTSMN1; SMN2PSMD14STAMBPCOPS5
SCHEMBL26607684 0.68 NNMT (0.58) NNMTSMN1; SMN2PSMD14STAMBPCOPS5

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-105814040-A Fused 1,4-dihydrodioxin derivatives as inhibitors of heat shock transcription factor 1 癌症研究科技有限公司 2016-07-27 CN disclosed