SCHEMBL5960403

SCHEMBL5960403

O=C1NCCCCCCCCCCCCNC1=O

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 2/20 0.50
FKBP5 Q13451 1/20 0.50
OR51E2 Q9H255 1/20 0.45
GAA P10253 3/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 1/20 0.38
BMPR2 Q13873 1/20 0.37
ALDH1A1 P00352 5/20 0.35
MAP2K1 Q02750 1/20 0.34
CCR2 P41597 1/20 0.33
PDPK1 O15530 1/20 0.32
PARP1 P09874 1/20 0.32
PARP10 Q53GL7 1/20 0.32
PARP11 Q9NR21 1/20 0.32
TRIM24 O15164 1/20 0.32
TRIM33 Q9UPN9 1/20 0.32
GFER P55789 1/20 0.31
L3MBTL1 Q9Y468 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
SCHEMBL9110121 1.00 CRBN (0.50) CRBNFKBP5OR51E2GAAKDM4E
SCHEMBL11802065 1.00 CRBN (0.50) CRBNFKBP5OR51E2GAAKDM4E
SCHEMBL1264729 0.96 CRBN (0.53) CRBNFKBP5OR51E2GAAKDM4E
Cyclohexane SCHEMBL6276395 0.89 CRBN (0.41) CRBNFKBP5OR51E2GAABMPR2
SCHEMBL2920166 0.89
SCHEMBL1696783 0.82 CRBN (0.42) CRBNFKBP5OR51E2BMPR2
SCHEMBL9058472 0.81 CRBN (0.47) CRBNFKBP5OR51E2GAAMAP2K1
SCHEMBL21785045 0.81 CRBN (0.47) CRBNFKBP5OR51E2GAAMAP2K1
SCHEMBL31059 0.81
Pyrrolidine SCHEMBL20271397 0.80 ALDH1A1 (0.47) CRBNFKBP5OR51E2ALDH1A1PDPK1

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
JP-2006057033-A MATERIAL WITH LOW WATER ABSORBENCY UBE IND LTD 2006-03-02 JP disclosed