SCHEMBL27899084

SCHEMBL27899084

Nc1cccc(COc2cccc3c2CN(C2CCC(C(=O)C=O)NC2)C3=O)c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 15/20 0.46
▸ IKZF3 Q9UKT9 15/20 0.46
▸ HDAC3 O15379 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ TNF P01375 5/20 0.39
▸ DDB1 Q16531 4/20 0.39
▸ IL1B P01584 3/20 0.39
▸ IKZF1 Q13422 1/20 0.39
▸ DRD2 P14416 1/20 0.38
▸ ADRA1D P25100 1/20 0.38
▸ ADRA1A P35348 1/20 0.38
▸ ADRA1B P35368 1/20 0.38

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
SCHEMBL27881819 0.84 CRBN (0.45) CRBNIKZF3HDAC3HDAC1TNF
SCHEMBL27899046 0.84 CRBN (0.41) CRBNIKZF3HDAC3HDAC1TNF
SCHEMBL27899077 0.83 CRBN (0.43) CRBNIKZF3HDAC3HDAC1TNF
SCHEMBL27899056 0.83 CRBN (0.49) CRBNIKZF3TNFDDB1IL1B
SCHEMBL27899028 0.83 CRBN (0.51) CRBNIKZF3TNFDDB1IL1B
SCHEMBL28799815 0.83 CRBN (0.44) CRBNIKZF3HDAC3HDAC1TNF
SCHEMBL28839156 0.82 CRBN (0.62) CRBNIKZF3TNFDDB1IL1B
Thiomorpholine SCHEMBL27881774 0.80 CRBN (0.42) CRBNIKZF3HDAC3HDAC1TNF
SCHEMBL27626192 0.80 CRBN (0.49) CRBNIKZF3HDAC3HDAC1TNF
SCHEMBL27899132 0.80 CRBN (0.41) CRBNIKZF3HDAC3HDAC1TNF

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
CN-102822165-A Arylmethoxy isoindoline derivatives and compositions comprising and methods of using the same CELGENE CORP 2012-12-12 — — CN disclosed
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