SCHEMBL8916749

SCHEMBL8916749

O=[C]NOCc1ccc(Cl)cc1Cl

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.53
HDAC8 Q9BY41 2/20 0.48
HDAC6 Q9UBN7 1/20 0.48
HTT P42858 5/20 0.45
L3MBTL1 Q9Y468 3/20 0.45
MAPK1 P28482 3/20 0.45
KMT2A Q03164 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MEN1 O00255 2/20 0.45
GAA P10253 1/20 0.44
NR4A2 P43354 2/20 0.44
CYP1A2 P05177 2/20 0.43
CYP3A4 P08684 2/20 0.43
CYP2C9 P11712 2/20 0.43
CYP2C19 P33261 2/20 0.43
MAPT P10636 3/20 0.43
CYP2D6 P10635 1/20 0.43
RECQL P46063 1/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42

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
SCHEMBL47974 0.77 IDO1 (0.58) IDO1HDAC8HTTL3MBTL1MAPK1
SCHEMBL29791379 0.76 HDAC8 (0.62) IDO1HDAC8HDAC6HTTL3MBTL1
SCHEMBL7888003 0.73 IDO1 (0.69) IDO1HTTL3MBTL1MAPK1KMT2A
SCHEMBL165560 0.73 IDO1 (0.69) IDO1HTTL3MBTL1MAPK1KMT2A
SCHEMBL29984975 0.73 IDO1 (0.69) IDO1HTTL3MBTL1MAPK1KMT2A
SCHEMBL5210365 0.73 IDO1 (0.48) IDO1HTTMAPK1KMT2AMEN1
SCHEMBL1989192 0.70 IDO1 (0.64) IDO1HDAC8HTTL3MBTL1MAPK1
SCHEMBL4261946 0.70 CYP1A2 (0.57) IDO1HTTMAPK1SMN1; SMN2CYP1A2
SCHEMBL11129339 0.70 IDO1 (0.64) IDO1HDAC8HTTL3MBTL1MAPK1
SCHEMBL11157965 0.70 IDO1 (0.64) IDO1HDAC8HTTL3MBTL1MAPK1

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-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 claimed