SCHEMBL6684569

SCHEMBL6684569

CC=NOCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 3/20 0.47
AGXT P21549 2/20 0.47
L3MBTL1 Q9Y468 2/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAOB P27338 6/20 0.39
APP P05067 1/20 0.39
KDM4E B2RXH2 2/20 0.38
CYP1A2 P05177 2/20 0.38
CYP2C19 P33261 2/20 0.38
HPGD P15428 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPBWR1 P48145 1/20 0.38
MCHR1 Q99705 1/20 0.38
MEN1 O00255 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37

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
SCHEMBL15865984 0.82 AGXT (0.48) IDO1AGXTL3MBTL1TDP1MAOB
SCHEMBL17216170 0.81 IDO1 (0.44) IDO1AGXTL3MBTL1TDP1MAOB
SCHEMBL17216913 0.81 IDO1 (0.44) IDO1AGXTL3MBTL1TDP1MAOB
SCHEMBL10617880 0.80 L3MBTL1 (0.53) IDO1AGXTL3MBTL1TDP1MAOB
SCHEMBL14006342 0.80 L3MBTL1 (0.53) IDO1AGXTL3MBTL1TDP1MAOB
SCHEMBL2903742 0.79 MAOB (0.42) L3MBTL1TDP1MAOBKDM4ECYP1A2
SCHEMBL2903739 0.79 MAOB (0.42) L3MBTL1TDP1MAOBKDM4ECYP1A2
SCHEMBL17219621 0.79 IDO1 (0.42) IDO1AGXTL3MBTL1TDP1MAOB
SCHEMBL211957 0.79 NPC1 (0.46) IDO1AGXTL3MBTL1TDP1ALDH1A1
SCHEMBL134049 0.79 NPC1 (0.46) IDO1AGXTL3MBTL1TDP1ALDH1A1

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-2004069145-A2 ANTICANCER COMPOUNDS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S LABORATORIES LTD. (IN) 2004-08-19 WO claimed