SCHEMBL5617129

SCHEMBL5617129

CCCCC(OC(N)=O)(C(N)=O)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 2/20 0.44
▸ KMT2A Q03164 3/20 0.42
▸ MAPT P10636 2/20 0.42
▸ SCN5A Q14524 3/20 0.40
▸ SCN9A Q15858 3/20 0.40
▸ HTT P42858 1/20 0.40
▸ CES2 O00748 3/20 0.38
▸ CES1 P23141 3/20 0.38
▸ LMNA P02545 4/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ CHRM2 P08172 2/20 0.38
▸ CYP2C19 P33261 2/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ HIF1A Q16665 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ CTDSP1 Q9GZU7 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL9667392 0.85 KIF11 (0.44) KIF11KMT2AMAPTSCN5ASCN9A
SCHEMBL28033810 0.84 MAPT (0.47) KIF11KMT2AMAPTHTTLMNA
SCHEMBL6719649 0.78 ALDH1A1 (0.43) MAPTCHRM2CHRM1CHRM3RAB9A
SCHEMBL20541470 0.77 HTT (0.54) KIF11KMT2AMAPTSCN5ASCN9A
SCHEMBL11247 0.76 KMT2A (0.46) KIF11KMT2AMAPTSCN5ASCN9A
SCHEMBL6264368 0.76 SCN5A (0.62) KIF11KMT2AMAPTSCN5ASCN9A
SCHEMBL2984162 0.76 CHRM3 (0.56) KIF11KMT2AMAPTSCN5ASCN9A
SCHEMBL10958323 0.75 SCN5A (0.45) KIF11KMT2AMAPTSCN5ASCN9A
SCHEMBL27696956 0.74 KIF11 (0.40) KIF11KMT2AMAPTSCN5ASCN9A
SCHEMBL3083611 0.74 KMT2A (0.43) KIF11KMT2AMAPTHTTLMNA

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
WO-2007137000-A2 COMBINATION CANCER CHEMOTHERAPY THE ARIZONA BOARD OF REGENTS ON BEHALF OF THE UNIVERSITY OF ARIZONA (US) 2007-11-29 — — WO claimed
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