SCHEMBL12653484

SCHEMBL12653484

Bc1ccc2c(c1)C(O)(c1ccccc1)C(N)=N2

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ P2RX1 P51575 1/20 0.32
▸ P2RX3 P56373 1/20 0.32
▸ P2RX4 Q99571 1/20 0.32
▸ P2RX7 Q99572 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
SCHEMBL12165054 0.83 ALOX5AP (0.34) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12165104 0.82 MEN1 (0.38) —
SCHEMBL12164883 0.82 SCN9A (0.37) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164888 0.82 SCN9A (0.37) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12165365 0.82 GABRA1 (0.35) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164937 0.82 BACE1 (0.36) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164952 0.82 RAB9A (0.37) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164960 0.82 MEN1 (0.39) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164884 0.82 SCN9A (0.37) P2RX1P2RX3P2RX4P2RX7
SCHEMBL12164887 0.80 P2RX1 (0.40) P2RX1P2RX3P2RX4P2RX7

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-2011053697-A1 2-AMINOINDOLE COMPOUNDS AND METHODS FOR THE TREATMENT OF MALARIA GENZYME CORPORATION (US) 2011-05-05 — — WO disclosed
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