SCHEMBL7969287

SCHEMBL7969287

Nc1ccc(-c2ccc(-c3n[nH]c(-c4nc5cc6c(cc5[nH]4)CNC6)c3O)cc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 3/20 0.46
F10 P00742 3/20 0.46
F11 P03951 3/20 0.46
F7 P08709 2/20 0.46
NPBWR1 P48145 2/20 0.41
PARP1 P09874 1/20 0.36
DHODH Q02127 1/20 0.36
PDGFRB P09619 1/20 0.34
KIT P10721 1/20 0.34
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
CHEK1 O14757 2/20 0.32
KDM4E B2RXH2 2/20 0.31
ALDH1A1 P00352 2/20 0.31
GAA P10253 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31

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
SCHEMBL7972949 0.87 F9 (0.46) F9F10F11F7PARP1
SCHEMBL7960905 0.87 F9 (0.46) F9F10F11F7PARP1
SCHEMBL16258933 0.84 F9 (0.47) F9F10F11F7CHEK1
SCHEMBL7975112 0.84 F9 (0.47) F9F10F11F7NPBWR1
SCHEMBL7969289 0.84 F9 (0.48) F9F10F11F7KDM4E
SCHEMBL7977818 0.81 F9 (0.48) F9F10F11F7NPBWR1
SCHEMBL7973330 0.80 F9 (0.44) F9F10F11F7PARP1
SCHEMBL7959321 0.78 F10 (0.40) F9F10F11F7PARP1
SCHEMBL7980064 0.77 GSK3B (0.49) F9F10F11F7PARP1
SCHEMBL7970800 0.77 TNKS (0.43) F9F10F11F7PIM1

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-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 WO disclosed