SCHEMBL7669658

SCHEMBL7669658

CC(C)c1cc(C(N)=O)c(NC(=O)/C=C\c2ccncc2)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
GFER P55789 1/20 0.49
KDM4E B2RXH2 9/20 0.47
MAPT P10636 5/20 0.47
FLT3 P36888 2/20 0.44
HPGD P15428 6/20 0.41
LMNA P02545 5/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 6/20 0.41
RAB9A P51151 6/20 0.41
ALDH1A1 P00352 5/20 0.41
MEN1 O00255 5/20 0.41
KMT2A Q03164 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
NPSR1 Q6W5P4 3/20 0.41
HTT P42858 2/20 0.41
SIRT2 Q8IXJ6 1/20 0.39
SIRT1 Q96EB6 1/20 0.39
SIRT3 Q9NTG7 1/20 0.39
NFKB1 P19838 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
SCHEMBL6999315 1.00 MAPK1 (0.49) MAPK1GFERKDM4EMAPTFLT3
SCHEMBL7673876 0.88 KDM4E (0.51) MAPK1GFERKDM4EMAPTFLT3
SCHEMBL7673871 0.88 KDM4E (0.51) MAPK1GFERKDM4EMAPTFLT3
SCHEMBL7676514 0.87 KDM4E (0.46) MAPK1GFERKDM4EMAPTNPC1
SCHEMBL7000998 0.87 KDM4E (0.46) MAPK1GFERKDM4EMAPTNPC1
SCHEMBL7001709 0.77 MAPK1 (0.47) MAPK1GFERKDM4EMAPTFLT3
SCHEMBL7004430 0.73 MAPT (0.54) KDM4EMAPTFLT3HPGDLMNA
SCHEMBL7674637 0.73 MAPT (0.54) KDM4EMAPTFLT3HPGDLMNA
SCHEMBL6994736 0.71 KDM4E (0.61) MAPK1GFERKDM4EMAPTFLT3
SCHEMBL16387376 0.71 MAPK1 (0.61) MAPK1GFERKDM4EMAPTHPGD

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
US-6414013-B1 KINASE INHIBITORS; ANTICANCER AGENTS PHARMACIA & UPJOHN S.P.A. (IT) 2002-07-02 US claimed