SCHEMBL12288669

SCHEMBL12288669

COc1ccc(NC(=O)Cc2cn(Cc3ccco3)c(=O)c3ccccc23)c(OC)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.57
▸ LMNA P02545 2/20 0.57
▸ TP53 P04637 1/20 0.57
▸ THRB P10828 1/20 0.57
▸ RAB9A P51151 1/20 0.57
▸ RXFP1 Q9HBX9 1/20 0.56
▸ ALDH1A1 P00352 5/20 0.53
▸ MEN1 O00255 2/20 0.51
▸ USP2 O75604 2/20 0.51
▸ MAPT P10636 2/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ MAPK1 P28482 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ TSHR P16473 1/20 0.51
▸ POLB P06746 1/20 0.50
▸ HPGD P15428 1/20 0.50
▸ NPSR1 Q6W5P4 1/20 0.50
▸ HTT P42858 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
SCHEMBL12285666 0.77 RXFP1 (0.73) KMT2ALMNATP53THRBRXFP1
SCHEMBL30774061 0.75 L3MBTL1 (0.75) KMT2ALMNATP53THRBRAB9A
SCHEMBL1895578 0.75 L3MBTL1 (0.75) KMT2ALMNATP53THRBRAB9A
SCHEMBL12668678 0.74 MAPT (0.57) KMT2ALMNATP53THRBRAB9A
SCHEMBL470775 0.73 MAPT (0.85) KMT2ATP53THRBRXFP1ALDH1A1
SCHEMBL12285491 0.72 RXFP1 (1.00) TP53THRBRXFP1MAPTPOLB
SCHEMBL19427445 0.70 ALDH1A1 (0.75) KMT2ALMNARAB9AALDH1A1MEN1
SCHEMBL12288667 0.69 RXFP1 (0.70) KMT2ATP53THRBRXFP1ALDH1A1
SCHEMBL19427444 0.69 ALDH1A1 (0.73) KMT2ALMNARAB9AALDH1A1MEN1
SCHEMBL14707901 0.68 MAPT (0.81) KMT2ALMNATP53THRBRXFP1

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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