SCHEMBL23617124

SCHEMBL23617124

CC(C)(C)OC(=O)NCc1cccc(-c2cccc3ccoc23)c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 3/20 0.52
CREBBP Q92793 1/20 0.52
KDM4A O75164 1/20 0.44
GLS O94925 3/20 0.42
CCKBR P32239 1/20 0.42
HDAC1 Q13547 1/20 0.41
BRD9 Q9H8M2 1/20 0.41
BAZ2B Q9UIF8 1/20 0.41
BAZ2A Q9UIF9 1/20 0.41
GRM2 Q14416 1/20 0.41
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
CTSK P43235 1/20 0.40
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
NAMPT P43490 2/20 0.40
CYP2D6 P10635 1/20 0.40
ESR1 P03372 1/20 0.39
POLB P06746 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL21439052 0.87 BRD4 (0.47) BRD4CREBBPKDM4AGLSCCKBR
SCHEMBL21438280 0.87 BRD4 (0.47) BRD4CREBBPKDM4AGLSCCKBR
SCHEMBL30009981 0.87 BRD4 (0.47) BRD4CREBBPKDM4AGLSCCKBR
SCHEMBL23616972 0.87 BRD4 (0.47) BRD4CREBBPKDM4AGLSCCKBR
SCHEMBL21437507 0.86 BRD4 (0.47) BRD4CREBBPKDM4AGLSCCKBR
SCHEMBL21455698 0.86 BRD4 (0.47) BRD4CREBBPKDM4AGLSCCKBR
SCHEMBL29672928 0.86 BRD4 (0.47) BRD4CREBBPKDM4AGLSCCKBR
SCHEMBL21455247 0.86 CFD (0.47) BRD4CREBBPGLSCCKBRHDAC1
SCHEMBL21437665 0.86 BRD4 (0.46) BRD4CREBBPKDM4AGLSCCKBR
SCHEMBL29672922 0.86 BRD4 (0.46) BRD4CREBBPKDM4AGLSCCKBR

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
EP-3687506-B1 SUBSTITUTED BENZOFURAN, BENZOPYRROLE, BENZOTHIOPHENE, AND STRUCTURALLY RELATED COMPLEMENT INHIBITORS BIOCRYST PHARM INC (US) 2021-07-07 EP disclosed