SCHEMBL8916291

SCHEMBL8916291

CC(C)(N[C]=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.42
CYP2C9 P11712 1/20 0.41
PTPN5 P54829 1/20 0.39
ADAMTS4 O75173 1/20 0.39
ADAMTS5 Q9UNA0 1/20 0.39
MAPT P10636 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
AGTR1 P30556 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
HDAC3 O15379 1/20 0.36
HDAC4 P56524 1/20 0.36
HDAC1 Q13547 1/20 0.36
HDAC7 Q8WUI4 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
SCHEMBL3114470 0.88 HDAC3 (0.45) MAPTKDM4EKMT2AHDAC3HDAC4
SCHEMBL18812907 0.75 KIF11 (0.48) KIF11CYP2C9PTPN5ADAMTS4ADAMTS5
SCHEMBL159573 0.74 KIF11 (0.46) KIF11CYP2C9PTPN5MAPTSMN1; SMN2
SCHEMBL8916294 0.73 KIF11 (0.42) KIF11CYP2C9PTPN5ADAMTS4ADAMTS5
SCHEMBL9850906 0.73 CYP2D6 (0.43) KIF11CYP2C9PTPN5MAPTSMN1; SMN2
SCHEMBL2362106 0.73 ADAMTS4 (0.51) KIF11CYP2C9PTPN5ADAMTS4ADAMTS5
SCHEMBL1549012 0.71 HDAC3 (0.45) MAPTKDM4EKMT2AHDAC3HDAC4
SCHEMBL10806930 0.70 KIF11 (0.52) KIF11CYP2C9PTPN5MAPTSMN1; SMN2
SCHEMBL3421942 0.69 KIF11 (0.59) KIF11CYP2C9PTPN5NPC1RAB9A
SCHEMBL15832876 0.69 ALDH1A1 (0.58) KIF11CYP2C9PTPN5CYP1A2AKT1

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
US-5633364-A N4 -substituted 2'-deoxycytidine compounds, oligonucleotides including N4 -labeled 2'-deoxycytidines, and a process for making oligonucleotides with N-modified 2'-deoxycytidines AMOCO CORPORATION (US) 1997-05-27 US disclosed
US-5405950-A N4 -substituted cytidines and process for incorporation into an oligonucleotides AMOCO CORPORATION (US) 1995-04-11 US disclosed