SCHEMBL12974477

SCHEMBL12974477

CSc1c(NCC(C)Nc2nc(Cl)nc(Nc3ccccc3S(=O)(=O)O)n2)ccc2c1Oc1c(Cl)c3c(c(Cl)c1=N2)Oc1c(ccc(NCC(C)Nc2nc(Cl)nc(Nc4ccccc4S(=O)(=O)O)n2)c1[S@@](=O)O)N=3

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.34
▸ P2RX7 Q99572 1/20 0.33
▸ P2RX2 Q9UBL9 1/20 0.33

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
SCHEMBL12172883 0.85 HPGDS (0.40) HPGDSP2RX7P2RX2
SCHEMBL21284462 0.79 HPGDS (0.34) HPGDS
SCHEMBL22861896 0.77 HPGDS (0.32) HPGDS
SCHEMBL12172868 0.76 CHAT (0.34) HPGDS
SCHEMBL12974380 0.70 CHAT (0.32) HPGDS
SCHEMBL14468811 0.69 CA9 (0.35) —
SCHEMBL14468970 0.69 CA12 (0.35) —
SCHEMBL14468779 0.68 CA12 (0.34) —
SCHEMBL285816 0.64 HPGDS (0.57) HPGDSP2RX7P2RX2
SCHEMBL14468962 0.64 KCNH3 (0.31) —

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-2010149505-A2 CHARGED PARTICLES BASF SE (DE) 2010-12-29 — — WO disclosed
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