SCHEMBL12288668

SCHEMBL12288668

COc1ccc(NC(=O)Cn2c(=O)n(Cc3ccco3)c(=O)c3sc4cnccc4c32)c(OC)c1

nearest known ligand 0.82

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ RXFP1 Q9HBX9 7/20 0.82
▸ MAPT P10636 9/20 0.64
▸ TP53 P04637 7/20 0.64
▸ POLB P06746 3/20 0.64
▸ TDP1 Q9NUW8 1/20 0.62
▸ THRB P10828 1/20 0.54
▸ USP2 O75604 1/20 0.51

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
SCHEMBL14707905 0.93 RXFP1 (0.71) RXFP1MAPTTP53POLBTDP1
SCHEMBL12285491 0.90 RXFP1 (1.00) RXFP1MAPTTP53POLBTDP1
SCHEMBL12286344 0.82 RXFP1 (0.84) RXFP1MAPTTP53POLBTDP1
SCHEMBL12286025 0.82 RXFP1 (0.71) RXFP1MAPTTP53POLBTDP1
SCHEMBL12285304 0.81 RXFP1 (0.77) RXFP1MAPTTP53POLBTDP1
SCHEMBL12288667 0.80 RXFP1 (0.70) RXFP1MAPTTP53POLBTDP1
SCHEMBL12287169 0.79 RXFP1 (0.80) RXFP1MAPTTP53POLBTDP1
SCHEMBL12286290 0.79 RXFP1 (0.74) RXFP1MAPTTP53POLBTDP1
SCHEMBL12286279 0.79 TP53 (0.76) RXFP1MAPTTP53POLBTDP1
SCHEMBL12286049 0.79 RXFP1 (0.74) 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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