SCHEMBL16906718

SCHEMBL16906718

O=C1CCC(N2Cc3c(cccc3[N+](=O)[O-])C2O)C(=O)N1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 18/20 0.53
▸ DDB1 Q16531 10/20 0.53
▸ IKZF3 Q9UKT9 3/20 0.40
▸ TNF P01375 2/20 0.40
▸ IL1B P01584 2/20 0.40
▸ IKZF1 Q13422 2/20 0.40
▸ BRD4 O60885 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ CHRM2 P08172 1/20 0.40
▸ OPRM1 P35372 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TBXA2R P21731 1/20 0.37

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
SCHEMBL24480802 0.82 CRBN (0.47) CRBNDDB1IKZF3TNFIL1B
SCHEMBL16223943 0.82 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL22566223 0.81 CRBN (0.49) CRBNDDB1IKZF3TNFIL1B
SCHEMBL20759933 0.79 CRBN (0.45) CRBNDDB1IKZF3TNFIL1B
SCHEMBL18885279 0.79 CRBN (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL25899657 0.79 CRBN (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL22661451 0.79 CRBN (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL21897792 0.79 CRBN (0.46) CRBNDDB1IKZF3ALDH1A1CHRM2
SCHEMBL25899593 0.79 CRBN (0.44) CRBNDDB1IKZF3TNFIL1B
SCHEMBL19503975 0.76 CRBN (0.54) 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
US-9085551-B2 Solid forms of 3-(4-nitro-1-oxisoindolin-2-yl)piperidine-2,6-dione CELGENE CORPORATION (US) 2015-07-21 — — US disclosed
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