SCHEMBL7469699

SCHEMBL7469699

O=Nc1cccc2c(=O)n(I)ccc12

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPC1 O15118 1/20 0.33
XBP1 P17861 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2C9 P11712 1/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GRM2 Q14416 1/20 0.30

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
SCHEMBL13078853 0.79 GAA (0.53) MAPTGAAL3MBTL1GRM2
SCHEMBL11775136 0.76 ALDH1A1 (0.42) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL7475826 0.75 ALDH1A1 (0.32) ALDH1A1MEN1KMT2AHPGDHSD17B10
SCHEMBL13587825 0.73 DHODH (0.37)
SCHEMBL13774307 0.71 DHPS (0.54) ALDH1A1KDM4EMAPTMEN1KMT2A
SCHEMBL13587824 0.70 MAPT (0.40) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL13266828 0.70 KDM4E (0.52) ALDH1A1KDM4EMAPTKMT2ANPC1
SCHEMBL14533084 0.70 ALDH1A1 (0.38) ALDH1A1KDM4EMAPTGAAMEN1
SCHEMBL13079283 0.69 GRM2 (0.46) GRM2
SCHEMBL12725423 0.69 USP5 (0.47) ALDH1A1KDM4EGAAKMT2ARAB9A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5877185-A THERAPY FOR CANCER OR RETROVIRUS OCTAMER, INC. (US) 1999-03-02 US disclosed
WO-1996022791-A9 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS 1996-10-03 WO disclosed
WO-1996022791-A1 NOVEL SYNERGISTIC COMPOSITIONS USEFUL AS ANTI-TUMOR OR ANTI-RETROVIRAL AGENTS OCTAMER, INC. (US) 1996-08-01 WO disclosed