SCHEMBL7970080

SCHEMBL7970080

C=C(OCc1ccccc1)N1Cc2cc3nc(-c4c(O)c(-c5ccc(C)cc5)nn4C)[nH]c3cc2C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.35
CA9 Q16790 1/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
PTGDR2 Q9Y5Y4 2/20 0.33
MMP2 P08253 2/20 0.33
MMP9 P14780 2/20 0.33
MMP8 P22894 2/20 0.33
MMP13 P45452 1/20 0.33
PRMT5 O14744 3/20 0.33
SMPD3 Q9NY59 1/20 0.32
F9 P00740 1/20 0.32
F10 P00742 1/20 0.32
F11 P03951 1/20 0.32
CHEK2 O96017 1/20 0.32
DHODH Q02127 1/20 0.32
MAOB P27338 1/20 0.32
HTR1A P08908 1/20 0.32

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
SCHEMBL10140043 0.90 TMEM97 (0.42) PTGDR2MMP2MMP9MMP8MMP13
SCHEMBL7971003 0.86 F9 (0.43) CA12CA9PDE4APDE4BPDE4C
SCHEMBL7973327 0.85 CA12 (0.39) CA12CA9PTGDR2MMP2MMP9
SCHEMBL7973945 0.82 MEN1 (0.38) CHEK2
SCHEMBL10140042 0.81 ATR (0.44) CA12CA9PTGDR2MMP2MMP9
SCHEMBL7970443 0.80 ATR (0.39) CA12CA9PTGDR2F9F10
SCHEMBL7971012 0.76 PTGDR2 (0.39) CA12CA9PTGDR2MMP2MMP9
SCHEMBL7970581 0.76 F9 (0.40) CA12CA9SMPD3F9F10
SCHEMBL7973155 0.76 F9 (0.39) CA12CA9SMPD3F9F10
SCHEMBL7972135 0.75 PDE10A (0.37) CA12CA9PTGDR2F9F10

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