SCHEMBL5047015

SCHEMBL5047015

COC(=O)C(Cc1ccc([N+](=O)[O-])s1)C(C)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.46
HTT P42858 7/20 0.46
L3MBTL1 Q9Y468 7/20 0.46
KDM4E B2RXH2 5/20 0.46
POLB P06746 5/20 0.46
GAA P10253 3/20 0.46
KMT2A Q03164 7/20 0.44
ALDH1A1 P00352 7/20 0.44
MEN1 O00255 6/20 0.44
NR1D1 P20393 2/20 0.44
TDP1 Q9NUW8 2/20 0.42
MAPK1 P28482 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
LMNA P02545 3/20 0.40
CASP3 P42574 2/20 0.38
CASP9 P55211 2/20 0.38
CASP6 P55212 2/20 0.38
CASP8 Q14790 2/20 0.38
SENP8 Q96LD8 2/20 0.38
SENP7 Q9BQF6 2/20 0.38

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
SCHEMBL959890 0.88 MAPT (0.44) MAPTHTTL3MBTL1KDM4EPOLB
SCHEMBL5769414 0.76 KMT2A (0.48) MAPTHTTL3MBTL1KDM4EPOLB
SCHEMBL5042133 0.74 SMN1; SMN2 (0.47) MAPTL3MBTL1POLBKMT2AALDH1A1
SCHEMBL6311420 0.73 MEN1 (0.47) MAPTHTTPOLBGAAKMT2A
SCHEMBL8421694 0.73 MAPT (0.48) MAPTHTTL3MBTL1KDM4EPOLB
SCHEMBL8421691 0.73 MAPT (0.48) MAPTHTTL3MBTL1KDM4EPOLB
SCHEMBL26613727 0.73 ALDH1A1 (0.46) MAPTPOLBGAAKMT2AALDH1A1
SCHEMBL10130583 0.73 KMT2A (0.50) MAPTHTTL3MBTL1KDM4EPOLB
SCHEMBL3070837 0.71 MAPT (0.44) MAPTHTTL3MBTL1KDM4EPOLB
SCHEMBL8528925 0.71 NR1D1 (0.48) MAPTHTTL3MBTL1KDM4EPOLB

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-1982982-A1 NOVEL COUMARIN DERIVATIVE HAVING ANTITUMOR ACTIVITY CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2008-10-22 EP disclosed