SCHEMBL18105097

SCHEMBL18105097

NC(=O)CCCNc1cccc2c1CN(C1CCC(=O)NC1=O)C2=O

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 7/20 0.61
▸ IKZF1 Q13422 2/20 0.60
▸ IKZF3 Q9UKT9 2/20 0.60
▸ BRD4 O60885 1/20 0.60
▸ TNF P01375 1/20 0.60
▸ IL1B P01584 1/20 0.60
▸ DDB1 Q16531 1/20 0.60
▸ MAP1LC3B Q9GZQ8 4/20 0.57
▸ STAT3 P40763 1/20 0.56
▸ AXL P30530 7/20 0.55
▸ CSNK1A1 P48729 1/20 0.54
▸ HDAC3 O15379 1/20 0.52
▸ HDAC1 Q13547 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
SCHEMBL30241742 0.97 CRBN (0.60) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL30241745 0.97 CRBN (0.60) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL31276711 0.96 CRBN (0.59) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL31436690 0.96 CRBN (0.59) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL31436662 0.96 CRBN (0.59) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL16743005 0.92 CRBN (0.61) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL29856007 0.92 CRBN (0.61) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL31276564 0.90 STAT3 (0.64) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL18104081 0.90 CRBN (0.58) CRBNIKZF1IKZF3BRD4TNF
SCHEMBL21333906 0.90 CRBN (0.60) CRBNIKZF1IKZF3BRD4TNF

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-20160282354-A1 COMPOSITIONS AND METHODS FOR SELECTING A TREATMENT FOR B-CELL NEOPLASIAS THE BROAD INSTITUTE, INC. (US) 2016-09-29 — — US disclosed
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