SCHEMBL18975751

SCHEMBL18975751

O=C1NC(=O)c2c(OCc3ccc(CN4CCOCC4)cc3)cccc21

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 11/20 0.55
DDB1 Q16531 7/20 0.55
IKZF3 Q9UKT9 6/20 0.55
TNF P01375 5/20 0.55
IL1B P01584 3/20 0.55
IKZF1 Q13422 1/20 0.55
CCR5 P51681 1/20 0.46
HTT P42858 1/20 0.43
RECQL P46063 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PDE4B Q07343 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43

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
SCHEMBL15912588 0.81 CRBN (0.56) CRBNDDB1IKZF3TNFIL1B
SCHEMBL8597854 0.80 EGFR (0.47) ALDH1A1
SCHEMBL8599835 0.77 MAOA (0.54) HTTALDH1A1
SCHEMBL2253151 0.77 CRBN (0.55) CRBNDDB1IKZF3TNFIL1B
SCHEMBL2253145 0.77 CRBN (0.55) CRBNDDB1IKZF3TNFIL1B
SCHEMBL12373360 0.76 CRBN (0.78) CRBNDDB1IKZF3TNFIL1B
SCHEMBL16768188 0.76 CRBN (0.49) CRBNDDB1IKZF3TNFIL1B
SCHEMBL2252809 0.76 CRBN (0.78) CRBNDDB1IKZF3TNFIL1B
SCHEMBL18975879 0.76 CRBN (0.62) CRBNDDB1IKZF3TNFIL1B
SCHEMBL16768259 0.75 CRBN (0.66) CRBNDDB1IKZF3TNFIL1B

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-2536706-B1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2017-06-14 EP disclosed