SCHEMBL30600396

SCHEMBL30600396

O=C1CCC(n2ccc3c([N+](=O)[O-])cccc3c2=O)C(=O)N1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 16/20 0.55
DDB1 Q16531 14/20 0.55
GAA P10253 1/20 0.49
TDP1 Q9NUW8 2/20 0.42
IKZF3 Q9UKT9 3/20 0.42
ALDH1A1 P00352 2/20 0.41
CHRM2 P08172 1/20 0.41
OPRM1 P35372 1/20 0.41
CYP1A2 P05177 1/20 0.41
TSHR P16473 1/20 0.41
TNF P01375 1/20 0.38
IL1B P01584 1/20 0.38
TBXA2R P21731 1/20 0.38
IKZF1 Q13422 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
SCHEMBL19586788 1.00 CRBN (0.55) CRBNDDB1GAATDP1IKZF3
SCHEMBL19586839 0.83 CRBN (0.54) CRBNDDB1TDP1IKZF3ALDH1A1
SCHEMBL30969004 0.81 CRBN (0.49) CRBNDDB1TDP1IKZF3ALDH1A1
SCHEMBL29264313 0.81 CRBN (0.49) CRBNDDB1TDP1IKZF3ALDH1A1
SCHEMBL19586295 0.81 CRBN (0.55) CRBNDDB1TDP1IKZF3ALDH1A1
SCHEMBL30600402 0.81 CRBN (0.55) CRBNDDB1TDP1IKZF3ALDH1A1
SCHEMBL26250286 0.80 CRBN (0.55) CRBNDDB1GAATDP1IKZF3
SCHEMBL1895103 0.79 GAA (0.60) GAATDP1ALDH1A1
SCHEMBL4383909 0.76 GAA (0.57) GAATDP1ALDH1A1
SCHEMBL19606336 0.76 CRBN (0.56) CRBNDDB1TDP1IKZF3ALDH1A1

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-110621664-B Novel piperidine-2, 6-dione derivatives and uses thereof 韩国化学研究院 2023-08-01 CN disclosed