SCHEMBL20375133

SCHEMBL20375133

CCC(=O)[C@H]1CNc2nc(N)[nH]c(=O)c2N1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOS1 P29475 9/20 0.58
▸ NOS3 P29474 2/20 0.56
▸ NOS2 P35228 2/20 0.56
▸ CASP7 P55210 2/20 0.55
▸ HSD17B10 Q99714 2/20 0.55
▸ USP2 O75604 1/20 0.55
▸ KDM4E B2RXH2 2/20 0.54
▸ MAPT P10636 2/20 0.54
▸ BLM P54132 2/20 0.54
▸ KMT2A Q03164 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ GLA P06280 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ PMP22 Q01453 1/20 0.54
▸ NPSR1 Q6W5P4 1/20 0.54
▸ TDP1 Q9NUW8 1/20 0.54
▸ PAH P00439 1/20 0.46
▸ SOST Q9BQB4 1/20 0.39
▸ FPGS Q05932 2/20 0.39
▸ GART P22102 1/20 0.38

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
SCHEMBL20374993 1.00 NOS1 (0.58) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL16564267 0.86 NOS1 (0.56) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL19410958 0.83 NOS1 (0.59) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL188413 0.83 NOS1 (0.56) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL16572892 0.81 NOS1 (0.64) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL20375021 0.81 NOS1 (0.64) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL16564323 0.81 NOS1 (0.64) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL1858785 0.81 NOS1 (0.64) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL16572891 0.81 NOS1 (0.64) NOS1NOS3NOS2CASP7HSD17B10
SCHEMBL16564266 0.81 NOS1 (0.64) NOS1NOS3NOS2CASP7HSD17B10

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
EP-2848619-B1 METHOD FOR PRODUCING SEPIAPTERIN AND TETRAHYDROLACTOYLPTERIN SHIRATORI PHARMACEUTICAL CO LTD (JP) 2018-07-11 — — EP disclosed
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