SCHEMBL22845492

SCHEMBL22845492

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

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDB1 Q16531 11/20 0.53
CRBN Q96SW2 11/20 0.53
HDAC1 Q13547 6/20 0.45
HDAC2 Q92769 6/20 0.45
STAT3 P40763 2/20 0.43
HDAC3 O15379 4/20 0.42
NCOR2 Q9Y618 4/20 0.42

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
SCHEMBL22845467 0.91 CRBN (0.49) DDB1CRBNHDAC1HDAC2STAT3
SCHEMBL23418286 0.84 CRBN (0.52) DDB1CRBNHDAC1HDAC2STAT3
SCHEMBL21070612 0.84 CRBN (0.51) DDB1CRBNHDAC1HDAC2STAT3
SCHEMBL21274933 0.84 LRRK2 (0.52) DDB1CRBNHDAC1STAT3
SCHEMBL29402619 0.83 DDB1 (0.76) DDB1CRBNHDAC1HDAC2STAT3
SCHEMBL1961607 0.83 DDB1 (0.76) DDB1CRBNHDAC1HDAC2STAT3
Hydrochloric Acid SCHEMBL29262211 0.83 DDB1 (0.76) DDB1CRBNHDAC1HDAC2STAT3
SCHEMBL22649829 0.83 DDB1 (0.76) DDB1CRBNHDAC1HDAC2STAT3
SCHEMBL22555985 0.81 CRBN (0.45) DDB1CRBNHDAC1HDAC2STAT3
SCHEMBL21070939 0.80 CRBN (0.77) DDB1CRBNSTAT3

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