SCHEMBL9501971

SCHEMBL9501971

C[C@H](O)[C@H](O)[C@H](O)C=NNc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOX1 Q9Y5S8 2/20 0.43
MAPT P10636 11/20 0.41
GAA P10253 9/20 0.41
MEN1 O00255 7/20 0.41
KMT2A Q03164 7/20 0.41
ALDH1A1 P00352 7/20 0.41
HPGD P15428 4/20 0.41
GFER P55789 2/20 0.41
KDM4E B2RXH2 4/20 0.40
GPR39 O43194 1/20 0.39
LMNA P02545 4/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 5/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TDP1 Q9NUW8 3/20 0.35
MAPK1 P28482 1/20 0.35
ALOX12 P18054 3/20 0.35

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
SCHEMBL3527268 1.00 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL9501969 1.00 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL13698792 1.00 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL11213005 1.00 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL3527266 1.00 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL11213002 1.00 NOX1 (0.43) NOX1MAPTGAAMEN1KMT2A
SCHEMBL3278077 0.82 NOX1 (0.48) NOX1MAPTGAAMEN1KMT2A
SCHEMBL11190662 0.80 MAPT (0.55) NOX1MAPTGAAMEN1KMT2A
SCHEMBL4538133 0.80 MAPT (0.55) NOX1MAPTGAAMEN1KMT2A
SCHEMBL4538128 0.80 MAPT (0.55) NOX1MAPTGAAMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0385336-B1 PROCESSES FOR THE PREPARATION OF PTERIN DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-06-02 EP claimed
US-5043446-A Subjecting ribose to acetalization, Grignard, oxidative cleavage, hydrazoning, condensing with pyridine to 1-biopterin NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-08-27 US claimed
EP-0385336-A2 Processes for the preparation of pterin derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 EP claimed
EP-0385336-B1 PROCESSES FOR THE PREPARATION OF PTERIN DERIVATIVES NISSHIN FLOUR MILLING CO., LTD. (JP) 1993-06-02 EP disclosed
US-5043446-A Subjecting ribose to acetalization, Grignard, oxidative cleavage, hydrazoning, condensing with pyridine to 1-biopterin NISSHIN FLOUR MILLING CO., LTD. (JP) 1991-08-27 US disclosed
EP-0385336-A2 Processes for the preparation of pterin derivatives NISSHIN FLOUR MILLING CO., LTD. (JP) 1990-09-05 EP disclosed