SCHEMBL8916294

SCHEMBL8916294

CC(C)(NC=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
NPC1 O15118 2/20 0.37
RAB9A P51151 1/20 0.37
CTDSP1 Q9GZU7 1/20 0.37
MAPT P10636 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
AGTR1 P30556 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
MME P08473 1/20 0.35
ACE P12821 1/20 0.35
HSD17B2 P37059 1/20 0.35
SGK1 O00141 1/20 0.35

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
SCHEMBL1911380 0.88 HDAC3 (0.41) MAPTKMT2AALDH1A1
SCHEMBL8763427 0.85 MAPT (0.34) MAPTALDH1A1
SCHEMBL11622569 0.81 ALDH1A1 (0.35) MAPTKMT2AALDH1A1
SCHEMBL11726103 0.80 HDAC1 (0.42) CYP2C9NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL4605410 0.80 APP (0.41) NPC1RAB9AMAPTSMN1; SMN2HTT
SCHEMBL4604905 0.79 CES2 (0.50) RAB9ALMNA
SCHEMBL11706941 0.78 APP (0.34) MAPT
SCHEMBL10066565 0.78 TSHR (0.46) NPC1RAB9AMAPTSMN1; SMN2MEN1
SCHEMBL16708764 0.76 KMT2A (0.42) CYP2C9NPC1RAB9AMAPTSMN1; SMN2
SCHEMBL11911427 0.76 MEN1 (0.35) CYP2C9NPC1RAB9ASMN1; SMN2MEN1

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