SCHEMBL9765342

SCHEMBL9765342

NC(=O)C(=O)NCCCNC(=O)C(N)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
KDM4E B2RXH2 3/20 0.38
MAPK1 P28482 1/20 0.38
HIF1A Q16665 1/20 0.38
ALDH1A1 P00352 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
PAOX Q6QHF9 2/20 0.36
CA12 O43570 2/20 0.35
CA2 P00918 2/20 0.35
CA9 Q16790 2/20 0.35
POLB P06746 1/20 0.35
CA1 P00915 1/20 0.35
TGFBR1 P36897 1/20 0.34
CA3 P07451 1/20 0.34
CA4 P22748 1/20 0.34
CA6 P23280 1/20 0.34
CA5A P35218 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL15201198 0.94 GAA (0.52) GAAKDM4EMAPK1HIF1AALDH1A1
SCHEMBL31264254 0.88 GAA (0.45) GAAKDM4EALDH1A1MEN1KMT2A
SCHEMBL4697573 0.87 GAA (0.47) GAACA12CA2CA9POLB
SCHEMBL27881751 0.87 GAA (0.47) GAAMEN1KMT2APAOXCA12
SCHEMBL1264732 0.85 EPHX1 (0.52) GAADPP7EPHX1
SCHEMBL27866037 0.85 GAA (0.46) GAAKDM4EMAPK1HIF1AALDH1A1
SCHEMBL28418917 0.85 GAA (0.46) GAAKDM4EMAPK1HIF1ACA12
SCHEMBL30399899 0.85 GAA (0.46) GAAKDM4EMAPK1HIF1AALDH1A1
SCHEMBL11560171 0.83 GAA (0.44) GAAKDM4EMAPK1HIF1AALDH1A1
SCHEMBL972622 0.83 EPHX1 (0.58) DPP7EPHX1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3215467-A None JP disclosed
JP-H03215467-A PROPANE-1-OXAMIDE-3-DITHIOXAMIDE AND ITS PRODUCTION NOK CORP 1991-09-20 JP disclosed