SCHEMBL30211315

SCHEMBL30211315

CC(C)(O)c1cc[nH]c(=O)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.39
BRD9 Q9H8M2 8/20 0.38
BTK Q06187 1/20 0.35
TNKS O95271 4/20 0.33
PARP1 P09874 4/20 0.33
TNKS2 Q9H2K2 4/20 0.33
BRD4 O60885 2/20 0.33
GABBR2 O75899 1/20 0.33
BRD2 P25440 1/20 0.33
EP300 Q09472 1/20 0.33
BRD3 Q15059 1/20 0.33
BRDT Q58F21 1/20 0.33
PBRM1 Q86U86 1/20 0.33
CREBBP Q92793 1/20 0.33
KAT2A Q92830 1/20 0.33
BRD7 Q9NPI1 1/20 0.33
GABBR1 Q9UBS5 1/20 0.33
FKBP5 Q13451 1/20 0.33
TAF1 P21675 1/20 0.33
CECR2 Q9BXF3 1/20 0.33

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
SCHEMBL2054595 0.83 NOTUM (0.42) NOTUMBTKFKBP5HDAC6NSD2
SCHEMBL24849937 0.76 NPC1 (0.46) NOTUMBTKFKBP5HDAC6NSD2
SCHEMBL24943297 0.76 NOTUM (0.37) NOTUMBTKFKBP5HDAC6NSD2
SCHEMBL1931574 0.74 HSD17B10 (0.52) NOTUMPARP1HDAC6
SCHEMBL19646434 0.73 NOTUM (0.35) NOTUMBTKNSD2ABL1PPARG
SCHEMBL7241989 0.71 NOTUM (0.34) NOTUMBTKNSD2ABL1PPARG
SCHEMBL7661963 0.70 GRM8 (0.33) NOTUMBTK
SCHEMBL9301298 0.70 NOTUM (0.33) NOTUMNSD2ABL1PPARGRIN1
SCHEMBL5352433 0.69 GAA (0.33) NOTUMGPR84
SCHEMBL24880084 0.68 ALDH1A1 (0.41) BRD9TNKSPARP1TNKS2

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-4139293-A1 RSV INHIBITING 3-SUBSTITUTED QUINOLINE AND CINNOLINE DERIVATIVES Janssen Sciences Ireland Unlimited Company (IE) 2023-03-01 EP disclosed