SCHEMBL25351007

SCHEMBL25351007

O=C(Nc1cc(Br)c(O)c(Br)c1)c1ccc(Cl)cc1O

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX1 P51575 8/20 0.62
TMPRSS4 Q9NRS4 8/20 0.62
P2RX4 Q99571 5/20 0.62
P2RX7 Q99572 5/20 0.62
PLAU P00749 2/20 0.59
KLKB1 P03952 1/20 0.58
F2 P00734 1/20 0.57
F10 P00742 1/20 0.57
PLG P00747 1/20 0.57
PLAT P00750 1/20 0.57
ALOX15 P16050 1/20 0.54
HSPD1 P10809 1/20 0.53
HSPE1 P61604 1/20 0.53
PNLIP P16233 1/20 0.52
FADS1 O60427 1/20 0.49
MEN1 O00255 1/20 0.48
IKBKB O14920 1/20 0.48
CHUK O15111 1/20 0.48
KDR P35968 1/20 0.48
FLT3 P36888 1/20 0.48

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
SCHEMBL25349562 0.88 TMPRSS4 (0.72) P2RX1TMPRSS4P2RX4P2RX7MEN1
SCHEMBL23752552 0.85 JAK2 (0.60) P2RX1TMPRSS4P2RX4P2RX7HSPD1
SCHEMBL330564 0.84 P2RX1 (0.76) P2RX1TMPRSS4P2RX4P2RX7PLAU
SCHEMBL11594959 0.80 P2RX1 (0.65) P2RX1P2RX4P2RX7PLAUALOX15
SCHEMBL7172686 0.80 TMPRSS4 (0.77) P2RX1TMPRSS4P2RX4P2RX7PLAU
SCHEMBL25348129 0.78 KLKB1 (0.61) P2RX1TMPRSS4PLAUKLKB1F2
SCHEMBL18290067 0.77 PNLIP (0.67) P2RX1TMPRSS4P2RX4P2RX7PLAU
SCHEMBL1841753 0.77 P2RX1 (0.54) P2RX1TMPRSS4P2RX4P2RX7PLAU
SCHEMBL130143 0.77 P2RX1 (1.00) P2RX1TMPRSS4P2RX4P2RX7KLKB1
SCHEMBL12644623 0.76 KCNK3 (0.61) HSPD1HSPE1MEN1KMT2ANPC1

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-2023149548-A1 NOVEL PHARMACEUTICAL COMPOSITION 国立大学法人富山大学 2023-08-10 WO disclosed