SCHEMBL29645873

SCHEMBL29645873

NC(=O)CCOCCOCCOCCOCCOc1cccc2c1C(=O)N([C@@H]1CCC(=O)NC1=O)C2=O

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 13/20 0.74
▸ DDB1 Q16531 11/20 0.74
▸ TNF P01375 1/20 0.57
▸ IL1B P01584 1/20 0.57
▸ TBXA2R P21731 1/20 0.57
▸ IKZF1 Q13422 1/20 0.57
▸ IKZF3 Q9UKT9 1/20 0.57
▸ MAP1LC3B Q9GZQ8 1/20 0.55
▸ STAT3 P40763 1/20 0.55
▸ AR P10275 1/20 0.54
▸ HDAC1 Q13547 3/20 0.53
▸ HDAC6 Q9UBN7 3/20 0.53
▸ GSK3B P49841 3/20 0.52
▸ HDAC3 O15379 1/20 0.52
▸ HDAC2 Q92769 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
SCHEMBL30087485 1.00 CRBN (0.74) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL22500886 0.92 CRBN (0.75) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL21062689 0.92 CRBN (0.75) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL20975160 0.92 CRBN (0.75) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL31655709 0.92 CRBN (0.72) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL29713150 0.91 CRBN (0.73) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL30281888 0.91 CRBN (0.73) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL30293948 0.91 CRBN (0.73) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL30293950 0.91 CRBN (0.73) CRBNDDB1TNFIL1BTBXA2R
SCHEMBL29839634 0.91 CRBN (0.73) CRBNDDB1TNFIL1BTBXA2R

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-114466850-A [1,2,4] triazolo [1,5-C ] quinazolin-5-amines 拜耳股份有限公司 2022-05-10 — — CN claimed
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