SCHEMBL7984622

SCHEMBL7984622

O=C1c2cc(Br)ccc2-c2nc3nonc3nc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.52
S100A4 P26447 2/20 0.48
PTPRC P08575 1/20 0.43
BCL2 P10415 2/20 0.42
MCL1 Q07820 1/20 0.42
USP7 Q93009 3/20 0.41
USP47 Q96K76 3/20 0.41
USP8 P40818 3/20 0.38
MEN1 O00255 1/20 0.37
LMNA P02545 1/20 0.37
TP53 P04637 1/20 0.37
MAPK1 P28482 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
AHR P35869 1/20 0.36

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
SCHEMBL31696105 1.00 PTGES (0.52) PTGESS100A4PTPRCBCL2MCL1
SCHEMBL7998365 0.84 USP7 (0.59) PTGESUSP7USP47USP8MEN1
SCHEMBL31696139 0.81 USP7 (0.59) PTGESUSP7USP47USP8MEN1
SCHEMBL29432454 0.78 RAB9A (0.60) PTGESPTPRCUSP7USP47USP8
SCHEMBL7984580 0.78 RAB9A (0.60) PTGESPTPRCUSP7USP47USP8
SCHEMBL24873135 0.74 USP7 (0.72) S100A4PTPRCBCL2MCL1USP7
SCHEMBL7996571 0.71 USP8 (0.59) PTGESMCL1USP7USP8MEN1
SCHEMBL7996577 0.71 PTGES (0.49) PTGESUSP7USP8MEN1LMNA
SCHEMBL7994964 0.70 PTGES (0.45) PTGESUSP7USP47USP8MEN1
SCHEMBL7984594 0.68 PTGES (0.49) PTGESUSP7USP8MEN1LMNA

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