SCHEMBL18082015

SCHEMBL18082015

C=C(C)NC(=O)NC(C)=O

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 1/20 0.41
TAS2R38 P59533 1/20 0.38
KDM4E B2RXH2 1/20 0.35
CA2 P00918 1/20 0.35
PTGS1 P23219 1/20 0.35
MMP12 P39900 1/20 0.35
ALDH1A1 P00352 3/20 0.33
NFKB1 P19838 1/20 0.33
EPHX1 P07099 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
LMNA P02545 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 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
SCHEMBL6448942 0.91 ALDH1A1 (0.38) CRBNTAS2R38KDM4ECA2PTGS1
SCHEMBL177640 0.84
SCHEMBL2891715 0.84 CRBN (0.53) CRBNTAS2R38KDM4ECA2PTGS1
SCHEMBL10918683 0.80 ALDH1A1 (0.32) ALDH1A1TDP1
SCHEMBL9424912 0.78 CRBN (0.38) CRBNTAS2R38KDM4ECA2PTGS1
SCHEMBL20827772 0.77
SCHEMBL18082014 0.76 TDP1 (0.36) CRBNTAS2R38KDM4ECA2PTGS1
SCHEMBL4851225 0.71 CRBN (0.47) CRBNTAS2R38KDM4ECA2PTGS1
SCHEMBL12168957 0.71 CRBN (0.41) CRBNTAS2R38KDM4ECA2PTGS1
SCHEMBL20671809 0.71 CRBN (0.41) CRBNTAS2R38KDM4ECA2PTGS1

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
EP-2498780-B1 N-9-SUBSTITUTED PURINE COMPOUNDS, COMPOSITIONS AND METHODS OF USE HOFFMANN LA ROCHE (CH) 2016-09-07 EP disclosed