SCHEMBL30893191

SCHEMBL30893191

NCCCCNC(=O)COc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 15/20 0.55
DDB1 Q16531 12/20 0.55
STAT3 P40763 1/20 0.52
HDAC3 O15379 1/20 0.48
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
HDAC2 Q92769 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48
NCOR2 Q9Y618 1/20 0.48
ALDH1A1 P00352 1/20 0.47
CHRM2 P08172 1/20 0.47
OPRM1 P35372 1/20 0.47
IKZF3 Q9UKT9 1/20 0.47
CYP1A2 P05177 1/20 0.47
TSHR P16473 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRIM24 O15164 2/20 0.47
BRD9 Q9H8M2 1/20 0.46

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
Hydrochloric Acid SCHEMBL30893267 0.98 CRBN (0.54) CRBNDDB1STAT3HDAC3HDAC4
Hydrochloric Acid SCHEMBL30893302 0.98 CRBN (0.54) CRBNDDB1STAT3HDAC3HDAC4
Hydrochloric Acid SCHEMBL30893274 0.98 CRBN (0.54) CRBNDDB1STAT3HDAC3HDAC4
SCHEMBL30893238 0.90 CRBN (0.54) CRBNDDB1STAT3HDAC3HDAC4
SCHEMBL27254175 0.89 CRBN (0.55) CRBNDDB1STAT3HDAC3HDAC4
SCHEMBL30751204 0.89 CRBN (0.59) CRBNDDB1STAT3ALDH1A1CHRM2
SCHEMBL24142096 0.89 CRBN (0.53) CRBNDDB1STAT3HDAC3HDAC1
SCHEMBL24458971 0.89 CRBN (0.53) CRBNDDB1STAT3HDAC3HDAC1
SCHEMBL27254174 0.89 CRBN (0.55) CRBNDDB1STAT3HDAC3HDAC4
Hydrochloric Acid SCHEMBL30893273 0.88 CRBN (0.52) CRBNDDB1STAT3HDAC3HDAC1

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-2024097948-A1 DEGRADERS OF MDM2 AND USES THEREOF ROIVANT DISCOVERY, INC. (US) 2024-05-10 WO disclosed