SCHEMBL12810941

SCHEMBL12810941

C=C(C1CC1)N(C)Cc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 19/20 0.63
CRBN Q96SW2 19/20 0.63
IKZF3 Q9UKT9 2/20 0.56
TNF P01375 1/20 0.56
IL1B P01584 1/20 0.56
TBXA2R P21731 1/20 0.56
IKZF1 Q13422 1/20 0.56
ALDH1A1 P00352 1/20 0.53
CHRM2 P08172 1/20 0.53
OPRM1 P35372 1/20 0.53
CYP1A2 P05177 1/20 0.53
TSHR P16473 1/20 0.53
TDP1 Q9NUW8 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
SCHEMBL14072311 0.89 DDB1 (0.67) DDB1CRBNIKZF3TNFIL1B
SCHEMBL1424768 0.87 DDB1 (0.65) DDB1CRBNIKZF3TNFIL1B
SCHEMBL12811257 0.87 DDB1 (0.58) DDB1CRBNIKZF3TNFIL1B
SCHEMBL1424490 0.86 DDB1 (0.66) DDB1CRBNIKZF3TNFIL1B
SCHEMBL12811084 0.85 DDB1 (0.60) DDB1CRBNIKZF3TNFIL1B
SCHEMBL1424625 0.85 DDB1 (0.62) DDB1CRBNIKZF3TNFIL1B
SCHEMBL15468278 0.85 DDB1 (0.64) DDB1CRBNIKZF3TNFIL1B
SCHEMBL1424373 0.84 DDB1 (0.64) DDB1CRBNIKZF3TNFIL1B
SCHEMBL14072380 0.84 DDB1 (0.63) DDB1CRBNIKZF3TNFIL1B
SCHEMBL1424577 0.83 DDB1 (0.67) DDB1CRBNIKZF3TNFIL1B

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-2076260-B1 N-METHYLAMINOMETHYL ISOINDOLE COMPOUNDS AND COMPOSITIONS COMPRISING AND METHODS OF USING THE SAME CELGENE CORP (US) 2011-03-23 EP disclosed