SCHEMBL28752188

SCHEMBL28752188

CCCCCCCCCCCCNC(=O)c1ccc(CNCc2cccnc2)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 4/20 0.69
NAAA Q02083 2/20 0.59
PTAFR P25105 3/20 0.57
FES P07332 1/20 0.56
RET P07949 1/20 0.56
MARK3 P27448 1/20 0.56
TYK2 P29597 1/20 0.56
FLT4 P35916 1/20 0.56
SYK P43405 1/20 0.56
CLK2 P49760 1/20 0.56
CLK4 Q9HAZ1 1/20 0.56
TSHR P16473 1/20 0.56
ALDH1A1 P00352 3/20 0.55
LMNA P02545 2/20 0.55
HTT P42858 2/20 0.55
MAPT P10636 1/20 0.55
MAPK1 P28482 1/20 0.55
NPSR1 Q6W5P4 1/20 0.54
GAA P10253 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.53

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
SCHEMBL27619602 0.89 TRPV1 (0.57) TRPV1NAAAPTAFRFESRET
SCHEMBL27619596 0.87 NAAA (0.74) NAAAALDH1A1LMNAHTTL3MBTL1
SCHEMBL6718542 0.86 NAAA (0.73) NAAAALDH1A1L3MBTL1
SCHEMBL5045529 0.84 TRPV1 (0.60) TRPV1NAAAPTAFRLMNAGAA
SCHEMBL1853667 0.83 TRPV1 (0.59) TRPV1NAAAPTAFR
SCHEMBL5044262 0.81 L3MBTL1 (0.62) NAAAALDH1A1MAPTL3MBTL1
SCHEMBL25330125 0.81 NAAA (0.68) NAAALMNA
SCHEMBL2356495 0.81 NAAA (0.68) NAAALMNA
SCHEMBL9763677 0.81 NAAA (0.68) NAAALMNA
SCHEMBL5694314 0.81 NAAA (0.68) NAAALMNA

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
CN-100410236-C Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (CH) 2008-08-13 CN disclosed
CN-1633410-A Substituted methylene amide derivatives as protein tyrosine phosphatase modulators APPLIED RESEARCH SYSTEMS (AN) 2005-06-29 CN disclosed