SCHEMBL19503783

SCHEMBL19503783

C=C1NC(=O)CCC1N1Cc2cccc(OC(C)C)c2C1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CRBN Q96SW2 18/20 0.51
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
IKZF1 Q13422 2/20 0.41
IKZF3 Q9UKT9 5/20 0.39
DDB1 Q16531 2/20 0.38
CSNK1A1 P48729 2/20 0.37
IKZF2 Q9UKS7 2/20 0.37
BRD4 O60885 1/20 0.36
TNF P01375 1/20 0.36
IL1B P01584 1/20 0.36

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
SCHEMBL19503645 0.89 CRBN (0.65) CRBNHTR2AHTR2CHTR2BIKZF1
SCHEMBL24042667 0.83 CRBN (0.53) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL20992944 0.81 CRBN (0.62) CRBNIKZF1IKZF3DDB1IKZF2
SCHEMBL19503563 0.80 CRBN (0.45) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL20993052 0.79 CRBN (0.60) CRBNIKZF1IKZF3DDB1IKZF2
SCHEMBL21477242 0.78 CRBN (0.65) CRBNIKZF1IKZF3DDB1BRD4
SCHEMBL25899646 0.77 CRBN (0.46) CRBNIKZF1IKZF3DDB1IKZF2
SCHEMBL26184591 0.77 CRBN (0.46) CRBNIKZF1IKZF3DDB1IKZF2
SCHEMBL19503782 0.77 CRBN (0.55) CRBNIKZF1IKZF2
SCHEMBL19503630 0.77 CRBN (0.69) CRBNHTR2AHTR2CHTR2BIKZF1

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-2017184995-A1 COMPOUNDS THAT INDUCE DEGRADATION OF ANTI-APOPTOTIC BCL-2 FAMILY PROTEINS AND THE USES THEREOF BIOVENTURES, LLC (US) 2017-10-26 WO disclosed