SCHEMBL4649233

SCHEMBL4649233

CCCC1CNc2nc(N)[nH]c(=O)c2N1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 10/20 0.72
NOS3 P29474 2/20 0.70
NOS2 P35228 2/20 0.70
USP2 O75604 1/20 0.54
CASP7 P55210 1/20 0.54
HSD17B10 Q99714 1/20 0.54
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
GLA P06280 1/20 0.53
MAPT P10636 1/20 0.53
HPGD P15428 1/20 0.53
BLM P54132 1/20 0.53
PMP22 Q01453 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
GART P22102 1/20 0.46
PAH P00439 1/20 0.45
SOST Q9BQB4 1/20 0.43
FPGS Q05932 2/20 0.42

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
SCHEMBL9248337 1.00 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL4649231 1.00 NOS1 (0.72) NOS1NOS3NOS2USP2CASP7
SCHEMBL2044797 0.84 NOS1 (0.78) NOS1NOS3NOS2USP2CASP7
SCHEMBL31561469 0.84 NOS1 (0.69) NOS1NOS3NOS2USP2CASP7
SCHEMBL10854897 0.83 NOS1 (0.83) NOS1NOS3NOS2USP2CASP7
SCHEMBL10852056 0.83 NOS1 (0.75) NOS1NOS3NOS2USP2CASP7
SCHEMBL10615701 0.82 NOS1 (0.71) NOS1NOS3NOS2USP2CASP7
SCHEMBL10618519 0.81 NOS1 (0.91) NOS1NOS3NOS2USP2CASP7
SCHEMBL10849648 0.79 NOS1 (0.66) NOS1NOS3NOS2USP2CASP7
SCHEMBL584982 0.78 NOS1 (0.64) NOS1NOS3NOS2USP2CASP7

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-1964566-A1 PREPARATION WITH IMPROVED BIOABSORBABILITY OF SAPROPTERIN HYDROCHLORIDE Asubio Pharma Co., Ltd. (JP) 2008-09-03 EP disclosed