SCHEMBL23226143

SCHEMBL23226143

CC1c2c(N)cccc2C(=O)N1C1CCC(=O)NC1=O

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 19/20 0.59
▸ DDB1 Q16531 15/20 0.59
▸ IKZF3 Q9UKT9 4/20 0.59
▸ TNF P01375 3/20 0.59
▸ IL1B P01584 3/20 0.59
▸ IKZF1 Q13422 2/20 0.59
▸ TBXA2R P21731 1/20 0.59
▸ BRD4 O60885 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.52
▸ CHRM2 P08172 1/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ TDP1 Q9NUW8 1/20 0.52

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
SCHEMBL1907861 0.86 CRBN (0.60) CRBNDDB1IKZF3TNFIL1B
SCHEMBL23565015 0.86 CRBN (0.53) CRBNDDB1IKZF3TNFIL1B
SCHEMBL20612264 0.85 CRBN (0.59) CRBNDDB1IKZF3TNFIL1B
SCHEMBL23226107 0.85 CRBN (0.58) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30938886 0.83 CRBN (0.50) CRBNDDB1IKZF3TNFIL1B
Hydrochloric Acid SCHEMBL5138324 0.83 CRBN (0.54) CRBNDDB1IKZF3TNFIL1B
SCHEMBL23225995 0.81 HTR2B (0.39) CRBNDDB1IKZF3TNFIL1B
SCHEMBL19771065 0.80 CRBN (0.61) CRBNDDB1IKZF3TNFIL1B
SCHEMBL22873882 0.79 CRBN (0.51) CRBNDDB1IKZF3TNFIL1B
SCHEMBL30938932 0.78 CRBN (0.66) 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
WO-2021068380-A1 PREPARATION OF DEGRADATION COMPOUND TARGETING BTK PROTEIN, AND APPLICATION THEREOF IN TREATING AUTOIMMUNE DISEASES AND TUMORS 清华大学 2021-04-15 — — WO disclosed
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