SCHEMBL4606303

SCHEMBL4606303

CN(C)C(=O)c1cccc(-c2nnnn2C)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CECR2 Q9BXF3 2/20 0.47
TRIM24 O15164 1/20 0.46
BRD4 O60885 1/20 0.46
TAF1 P21675 1/20 0.46
SMARCA2 P51531 1/20 0.46
SMARCA4 P51532 1/20 0.46
BRPF1 P55201 1/20 0.46
EP300 Q09472 1/20 0.46
PBRM1 Q86U86 1/20 0.46
CREBBP Q92793 1/20 0.46
BRD9 Q9H8M2 1/20 0.46
BAZ2B Q9UIF8 1/20 0.46
BAZ2A Q9UIF9 1/20 0.46
ERN1 O75460 2/20 0.45
FYN P06241 2/20 0.43
KEAP1 Q14145 2/20 0.42
NFE2L2 Q16236 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
HSD11B1 P28845 1/20 0.42
DAGLA Q9Y4D2 1/20 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
SCHEMBL3377975 0.83 PARP1 (0.51) BRD4BAZ2BBAZ2ASMN1; SMN2HSD11B1
SCHEMBL10421098 0.78 CNR2 (0.45) SMN1; SMN2HSD11B1HIF1ANPSR1RXFP1
SCHEMBL12852653 0.77 SMN1; SMN2 (0.42) FYNSMN1; SMN2CCR3HIF1ANPSR1
SCHEMBL20888384 0.76 SMN1; SMN2 (0.41) SMN1; SMN2CCR3HIF1ANPSR1RXFP1
SCHEMBL13151302 0.76 SMN1; SMN2 (0.41) SMN1; SMN2CCR3HIF1ANPSR1RXFP1
SCHEMBL12377870 0.75 L3MBTL1 (0.62) SMN1; SMN2NPSR1
SCHEMBL6706194 0.75 SMN1; SMN2 (0.39) KEAP1NFE2L2SMN1; SMN2HSD11B1HIF1A
SCHEMBL14488498 0.73 SYK (0.43) CCR3
SCHEMBL4605605 0.73 CCR3 (0.42) SMN1; SMN2HSD11B1CCR3HIF1ANPSR1
SCHEMBL7452483 0.72 ACLY (0.53) SMN1; SMN2HSD11B1CCR3NPSR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1943235-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Novartis AG (CH) 2008-07-16 EP disclosed
WO-2007048771-A1 ARYLUREA DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY NOVARTIS AG (CH) 2007-05-03 WO disclosed