SCHEMBL7994964

SCHEMBL7994964

O=C1c2cccc(Br)c2-c2nc3nonc3nc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.45
MAPK1 P28482 4/20 0.40
KMT2A Q03164 3/20 0.40
L3MBTL1 Q9Y468 3/20 0.40
HTT P42858 3/20 0.40
MEN1 O00255 2/20 0.40
TP53 P04637 2/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
ALDH1A1 P00352 3/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 1/20 0.35
AHR P35869 1/20 0.35
POLB P06746 1/20 0.33

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
SCHEMBL29432454 0.76 RAB9A (0.60) PTGESMAPK1KMT2AL3MBTL1HTT
SCHEMBL7984580 0.76 RAB9A (0.60) PTGESMAPK1KMT2AL3MBTL1HTT
SCHEMBL7983849 0.72 PTGES (0.57) PTGESMAPK1KMT2AL3MBTL1HTT
SCHEMBL7984632 0.72 USP8 (0.60) PTGESMAPK1KMT2AL3MBTL1HTT
SCHEMBL31696105 0.70 PTGES (0.52) PTGESMAPK1KMT2AL3MBTL1HTT
SCHEMBL7984622 0.70 PTGES (0.52) PTGESMAPK1KMT2AL3MBTL1HTT
SCHEMBL6904504 0.69 MAOA (0.52) MAPK1KMT2AL3MBTL1HTTMEN1
SCHEMBL15678555 0.69 CA1 (0.52) MAPK1KMT2AL3MBTL1HTTMEN1
SCHEMBL7996719 0.69 PTGES (0.64) PTGESKMT2AHTTMEN1LMNA
SCHEMBL5412322 0.67 MAPT (0.54) MAPK1KMT2AL3MBTL1HTTMEN1

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
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO claimed
WO-2001079209-A2 DIAZAFLUORENONE IL-8 ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2001-10-25 WO disclosed