SCHEMBL12286277

SCHEMBL12286277

O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2sc3ccccc3c21)Nc1ccc(Cl)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 9/20 0.81
▸ MAPT P10636 8/20 0.81
▸ TP53 P04637 10/20 0.77
▸ POLB P06746 4/20 0.77
▸ TDP1 Q9NUW8 1/20 0.74
▸ GAA P10253 1/20 0.68
▸ THRB P10828 1/20 0.58

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
SCHEMBL12286338 0.92 RXFP1 (0.82) RXFP1MAPTTP53POLBTDP1
SCHEMBL12287180 0.91 RXFP1 (0.84) RXFP1MAPTTP53POLBTDP1
SCHEMBL14707918 0.91 RXFP1 (0.84) RXFP1MAPTTP53POLBTDP1
SCHEMBL12286372 0.91 RXFP1 (0.81) RXFP1MAPTTP53POLBTDP1
SCHEMBL12286033 0.91 RXFP1 (0.81) RXFP1MAPTTP53POLBTDP1
SCHEMBL14707926 0.90 RXFP1 (0.81) RXFP1MAPTTP53POLBTDP1
SCHEMBL14707930 0.90 RXFP1 (1.00) RXFP1MAPTTP53POLBTDP1
SCHEMBL12285844 0.90 RXFP1 (0.84) RXFP1MAPTTP53POLBTDP1
SCHEMBL12286679 0.89 RXFP1 (0.78) RXFP1MAPTTP53POLBTDP1
SCHEMBL14707929 0.89 RXFP1 (0.80) RXFP1MAPTTP53POLBTDP1

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-2011133722-A2 ANTI-VIRAL COMPOUNDS Kineta, Inc. (US) 2011-10-27 — — WO disclosed
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