SCHEMBL6204930

SCHEMBL6204930

c1cnn(CN2CCNCCNCC2)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
CXCR4 P61073 8/20 0.35
MEN1 O00255 1/20 0.33
CHRM2 P08172 1/20 0.33
CHRM1 P11229 1/20 0.33
ADRA2C P18825 1/20 0.33
CCR2 P41597 1/20 0.33
CXCL12 P48061 1/20 0.33
BLM P54132 1/20 0.33
KMT2A Q03164 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
FDPS P14324 1/20 0.33
ALDH1A1 P00352 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TSHR P16473 2/20 0.32
ALOX15 P16050 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KDM1A O60341 1/20 0.32
DAO P14920 1/20 0.31

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
SCHEMBL1969312 0.90 AURKA (0.33) SIGMAR1L3MBTL1LMNA
SCHEMBL17305901 0.84 FDPS (0.38) FDPSTSHRL3MBTL1DAOLMNA
SCHEMBL5556736 0.84 FDPS (0.38) FDPSTSHRL3MBTL1DAOLMNA
SCHEMBL7587812 0.84 FDPS (0.38) FDPSTSHRL3MBTL1DAOLMNA
SCHEMBL3381592 0.82 SOD3 (0.47) SIGMAR1CXCR4KDM4ELMNA
SCHEMBL4841885 0.81 KDM1A (0.41) SIGMAR1CXCR4ALDH1A1KDM4ETSHR
SCHEMBL8607491 0.80 FDPS (0.36) TDP1HRH3FDPSALDH1A1TSHR
SCHEMBL1332399 0.77 CHRNA7 (0.37) KMT2AHRH3FDPSALDH1A1TSHR
SCHEMBL28157738 0.76 FDPS (0.36) FDPSTSHRL3MBTL1DAOLMNA
SCHEMBL31682404 0.76 HTT (0.41) CXCR4MEN1KMT2AFDPSALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1506277-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2005-02-16 EP disclosed
WO-2003097780-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-11-27 WO disclosed
EP-1341893-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-09-10 EP disclosed
EP-1259588-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-11-27 EP disclosed
WO-2002048307-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2002-06-20 WO disclosed
EP-1208186-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2002-05-29 EP disclosed
WO-2001064826-A2 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-09-07 WO disclosed
WO-2001016270-A1 COMPOSITION AND METHOD FOR BLEACHING A SUBSTRATE UNILEVER PLC (GB) 2001-03-08 WO disclosed