SCHEMBL16488189

SCHEMBL16488189

CC(=O)Nc1nc(NCC(=O)C(O)[C@H](C)O)c([N+](=O)[O-])c(=O)[nH]1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GDA Q9Y2T3 1/20 0.34
KMT2A Q03164 1/20 0.34
ADORA3 P0DMS8 2/20 0.33
ALDH1A1 P00352 1/20 0.33
KDM4E B2RXH2 2/20 0.33
GAA P10253 2/20 0.33
DPP4 P27487 1/20 0.31
MAPT P10636 2/20 0.31
POLB P06746 2/20 0.31
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
ALOX15 P16050 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
HTT P42858 1/20 0.30
PPARG P37231 1/20 0.30
NCOA2 Q15596 1/20 0.30
NCOA1 Q15788 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30

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
SCHEMBL18257489 1.00 GDA (0.34) GDAKMT2AADORA3ALDH1A1KDM4E
SCHEMBL15325115 1.00 GDA (0.34) GDAKMT2AADORA3ALDH1A1KDM4E
SCHEMBL16488194 0.87 KMT2A (0.36) GDAKMT2AADORA3ALDH1A1KDM4E
SCHEMBL18658555 0.87 KMT2A (0.36) GDAKMT2AADORA3ALDH1A1KDM4E
SCHEMBL16639442 0.83 ADORA3 (0.41) GDAKMT2AADORA3ALDH1A1KDM4E
SCHEMBL18658580 0.81 GDA (0.39) GDAKMT2AADORA3ALDH1A1KDM4E
SCHEMBL16466807 0.79 KMT2A (0.36) GDAKMT2AADORA3ALDH1A1KDM4E
SCHEMBL18658563 0.76 ATM (0.35) KMT2ADPP4SMN1; SMN2
SCHEMBL4069624 0.72 POLB (0.48) GDAKMT2AADORA3ALDH1A1KDM4E
SCHEMBL15325124 0.71 GDA (0.43) GDAKMT2AADORA3ALDH1A1KDM4E

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-2837629-A1 METHOD FOR SYNTHESIZING SAPROPTERIN DIHYDROCHLORIDE Asymchem Laboratories (Tianjin) Co., Ltd (CN) 2015-02-18 EP disclosed