SCHEMBL22845467

SCHEMBL22845467

NC(=O)CNc1cccc2c1C(=O)N(C1CCCNC1=O)C2=O

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 11/20 0.49
DDB1 Q16531 9/20 0.49
HDAC1 Q13547 7/20 0.46
HDAC2 Q92769 7/20 0.46
HDAC3 O15379 5/20 0.43
NCOR2 Q9Y618 5/20 0.43
STAT3 P40763 1/20 0.42
TNF P01375 1/20 0.42
IL1B P01584 1/20 0.42
TBXA2R P21731 1/20 0.42
IKZF1 Q13422 1/20 0.42
IKZF3 Q9UKT9 1/20 0.42
CA2 P00918 2/20 0.41

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
SCHEMBL22845492 0.91 DDB1 (0.53) CRBNDDB1HDAC1HDAC2HDAC3
SCHEMBL21070612 0.85 CRBN (0.51) CRBNDDB1HDAC1HDAC2HDAC3
SCHEMBL19481342 0.83 DDB1 (0.71) CRBNDDB1HDAC1HDAC2HDAC3
SCHEMBL29378386 0.83 DDB1 (0.71) CRBNDDB1HDAC1HDAC2HDAC3
SCHEMBL23418286 0.83 CRBN (0.52) CRBNDDB1HDAC1HDAC2HDAC3
SCHEMBL19475746 0.79 STAT3 (0.49) CRBNDDB1HDAC1HDAC2STAT3
SCHEMBL21070939 0.79 CRBN (0.77) CRBNDDB1STAT3CA2
SCHEMBL21274933 0.79 LRRK2 (0.52) CRBNDDB1HDAC1STAT3CA2
SCHEMBL9988737 0.78 DDB1 (0.64) CRBNDDB1HDAC1HDAC2TNF
SCHEMBL22845577 0.78 DDB1 (0.67) 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
WO-2020263935-A1 HCK DEGRADERS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-12-30 WO disclosed