SCHEMBL2801255

SCHEMBL2801255

C=CC(=O)Nc1nccc(N2CCCCC2)n1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 2/20 0.56
CCNK O75909 1/20 0.48
CDK12 Q9NYV4 1/20 0.48
FGFR4 P22455 1/20 0.46
UCHL3 P15374 1/20 0.44
NFKB1 P19838 2/20 0.43
NR2C2 P49116 2/20 0.43
NFKB2 Q00653 2/20 0.43
RELA Q04206 2/20 0.43
TAB1 Q15750 2/20 0.43
HRH4 Q9H3N8 5/20 0.43
TGM2 P21980 2/20 0.43
JAK2 O60674 1/20 0.43
JAK1 P23458 1/20 0.43
TYK2 P29597 1/20 0.43
JAK3 P52333 1/20 0.43
MRGPRX1 Q96LB2 1/20 0.41
BTK Q06187 2/20 0.41
KCNH2 Q12809 1/20 0.41
HRH3 Q9Y5N1 2/20 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
SCHEMBL1090759 0.84 CXCR4 (0.60) CXCR4CCNKCDK12FGFR4HRH4
SCHEMBL2799132 0.78 ADORA2A (0.46) UCHL3TGM2BTKEGFRSRC
SCHEMBL2086616 0.76 CXCR4 (0.68) CXCR4NFKB1NR2C2NFKB2RELA
SCHEMBL22664052 0.74 KCNQ3 (0.54) TGM2BTKKCNH2F13A1TGM1
SCHEMBL2828674 0.73 EGFR (0.51) TGM2BTKEGFRITK
SCHEMBL1089742 0.73 HRH4 (0.49) CXCR4NFKB1NR2C2NFKB2RELA
SCHEMBL18654937 0.72 CXCR4 (0.45) CXCR4NFKB1NR2C2NFKB2RELA
SCHEMBL1090046 0.71 CXCR4 (1.00) CXCR4HRH4MRGPRX1HRH3
SCHEMBL1089904 0.71 CXCR4 (1.00) CXCR4HRH4MRGPRX1HRH3
SCHEMBL1090583 0.71 CXCR4 (0.74) CXCR4HRH4MRGPRX1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7750090-B2 Moleculary imprinted polymers for extraction of components from foodstruffs MIP TECHNOLOGIES AB (SE) 2010-07-06 US disclosed
US-20060292545-A1 Moleculary imprinted polymers for extraction of components from foodstruffs MIP TECHNOLOGIES AB (SE) 2006-12-28 US disclosed
EP-1594902-A1 MOLECULARY IMPRINTED POLYMERS FOR EXTRACTION OF COMPONENTS FROM FOODSTRUFFS MIP Technologies AB (SE) 2005-11-16 EP disclosed
WO-2004067578-A1 MOLECULARY IMPRINTED POLYMERS FOR EXTRACTION OF COMPONENTS FROM FOODSTRUFFS MIP TECHNOLOGIES AB (SE) 2004-08-12 WO disclosed