SCHEMBL19204413

SCHEMBL19204413

CN1CNc2nc(N)[nH]c(=O)c21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 8/20 0.47
▸ NOS3 P29474 2/20 0.47
▸ NOS2 P35228 2/20 0.47
▸ CYP1A2 P05177 1/20 0.42
▸ CASP7 P55210 2/20 0.40
▸ HSD17B10 Q99714 2/20 0.40
▸ USP2 O75604 1/20 0.40
▸ PAH P00439 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ BLM P54132 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ GLA P06280 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ PMP22 Q01453 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ MEN1 O00255 1/20 0.37
▸ RGS12 O14924 1/20 0.37

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
SCHEMBL29754917 0.83 NOS1 (0.54) NOS1NOS3NOS2CYP1A2CASP7
SCHEMBL2787048 0.72 HPRT1 (0.50) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL31315883 0.71 NOS1 (0.43) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL18833772 0.70 NOS1 (0.51) NOS1PNP
SCHEMBL1586365 0.70 PNP (0.37) NOS1NOS3NOS2MAPTHIF1A
SCHEMBL30032784 0.70 NOS1 (0.51) NOS1NOS3NOS2CYP1A2CASP7
SCHEMBL20432204 0.69 TYMS (0.47) NOS1NOS3NOS2HSD17B10KDM4E
SCHEMBL12958941 0.68 NOS1 (0.37) NOS1NOS3NOS2MAPTNPSR1
SCHEMBL20374994 0.68 NOS1 (0.45) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL8133897 0.66 NOS1 (0.33) NOS1NOS3NOS2CYP1A2HSD17B10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023219114-A1 MRNA CAP ANALOG AND METHOD FOR PRODUCING SAME, METHOD FOR PRODUCING MRNA, AND KIT ヤマサ醤油株式会社 2023-11-16 — — WO disclosed
WO-2017130151-A1 5'-PHOSPHOROTHIOLATE MRNA 5'-END (CAP) ANALOGS, MRNA COMPRISING THE SAME, METHOD OF OBTAINING AND USES THEREOF UNIWERSYTET WARSZAWSKI (PL) 2017-08-03 — — WO disclosed
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