SCHEMBL7994971

SCHEMBL7994971

O=C1c2nc3nonc3nc2-c2cccc(OCc3ccccn3)c21

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGES O14684 3/20 0.59
SYK P43405 8/20 0.43
TXNRD1 Q16881 1/20 0.42
TXNRD3 Q86VQ6 1/20 0.42
TXNRD2 Q9NNW7 1/20 0.42
AURKB Q96GD4 3/20 0.41
INCENP Q9NQS7 3/20 0.41
BRD4 O60885 1/20 0.39
PRKDC P78527 3/20 0.39
ABCB1 P08183 1/20 0.38
HTR1A P08908 1/20 0.38
DRD2 P14416 1/20 0.38
PIK3CD O00329 1/20 0.36
PDE3A Q14432 1/20 0.36
MBOAT4 Q96T53 1/20 0.36
KCNA3 P22001 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
SCHEMBL7984832 0.85 PTGES (0.63) PTGESBRD4KCNA3
SCHEMBL7996575 0.83 PTGES (0.55) PTGESBRD4PRKDCABCB1PIK3CD
SCHEMBL7994940 0.80 PTGES (0.52) PTGESBRD4PRKDCHTR1ADRD2
SCHEMBL7996440 0.80 PTGES (0.54) PTGESPIK3CD
SCHEMBL7984763 0.80 PTGES (0.54) PTGESKCNA3
SCHEMBL7996719 0.79 PTGES (0.64) PTGES
SCHEMBL7984591 0.77 PTGES (0.61) PTGES
SCHEMBL23876437 0.74 PTGES (1.00) PTGESHTR1A
Trifluoroacetic Acid SCHEMBL7996801 0.73 PTGES (0.52) PTGESSYKBRD4PRKDCHTR1A
SCHEMBL7994951 0.73 PTGES (0.56) PTGES

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