SCHEMBL12444987

SCHEMBL12444987

NCc1ccc(COc2cccc3c2C(=O)N(C2CCC(=O)NC2=O)C3=O)cc1

nearest known ligand 0.72

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.72
DDB1 Q16531 17/20 0.72
IKZF3 Q9UKT9 6/20 0.68
TNF P01375 1/20 0.62
IL1B P01584 1/20 0.62
TBXA2R P21731 1/20 0.62
IKZF1 Q13422 1/20 0.62
ALDH1A1 P00352 1/20 0.56
CHRM2 P08172 1/20 0.56
OPRM1 P35372 1/20 0.56
CYP1A2 P05177 1/20 0.56
TSHR P16473 1/20 0.56
TDP1 Q9NUW8 1/20 0.56
STAT3 P40763 1/20 0.53

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
SCHEMBL26317843 0.96 CRBN (0.78) CRBNDDB1IKZF3TNFIL1B
SCHEMBL29922394 0.93 CRBN (0.77) CRBNDDB1IKZF3TNFIL1B
SCHEMBL1097885 0.93 CRBN (0.77) CRBNDDB1IKZF3TNFIL1B
SCHEMBL1097558 0.91 CRBN (0.74) CRBNDDB1IKZF3TNFIL1B
SCHEMBL2249753 0.91 CRBN (0.71) CRBNDDB1IKZF3TNFIL1B
SCHEMBL2248661 0.91 CRBN (0.71) CRBNDDB1IKZF3TNFIL1B
SCHEMBL31307117 0.91 CRBN (0.65) CRBNDDB1IKZF3TNFIL1B
SCHEMBL1096542 0.89 CRBN (0.71) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21087840 0.89 CRBN (0.71) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30881306 0.89 CRBN (0.68) 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
WO-2011100380-A1 ARYLMETHOXY ISOINDOLINE DERIVATIVES AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORPORATION (US) 2011-08-18 WO disclosed