SCHEMBL27452010

SCHEMBL27452010

C[C@@H]1OC(c2c[nH]nn2)[C@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SLC5A2 P31639 5/20 0.34
SLC5A1 P13866 4/20 0.34
SELP P16109 5/20 0.34
SELL P14151 2/20 0.34
KDM4E B2RXH2 1/20 0.31
APAF1 O14727 1/20 0.31
NSD2 O96028 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
CASP3 P42574 1/20 0.31
SENP8 Q96LD8 1/20 0.31
HSD17B10 Q99714 1/20 0.31
SENP7 Q9BQF6 1/20 0.31
SENP6 Q9GZR1 1/20 0.31
MAPT P10636 2/20 0.30
MAPK1 P28482 2/20 0.30
RAB9A P51151 2/20 0.30
NPC1 O15118 1/20 0.30
POLB P06746 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
SCHEMBL27373827 0.78 SLC5A2 (0.44) SLC5A2
SCHEMBL27392749 0.78 SLC5A2 (0.44) SLC5A2
SCHEMBL27373828 0.78 SLC5A2 (0.44) SLC5A2
SCHEMBL28617337 0.78 SLC5A2 (0.44) SLC5A2
SCHEMBL30467317 0.78 SLC5A2 (0.44) SLC5A2
SCHEMBL11236869 0.75 SLC5A2 (0.42) SLC5A2KDM4EMAPT
SCHEMBL28628550 0.71 SLC5A1 (0.31) SLC5A2SLC5A1
Formamide SCHEMBL27586407 0.69 UMPS (0.40) SLC5A2KDM4EMAPT
SCHEMBL12899794 0.61 MAPT (0.41) SLC5A2SLC5A1SELPSELLKDM4E
SCHEMBL23541364 0.61 FUCA1 (0.48) KDM4EAPAF1NSD2ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1063183-C Heterocyclic radical, sugar radical polysubstituted pyrrodiazole-like compound and synthetic method thereof CHINESE ACAD INST CHEMISTRY (CN) 2001-03-14 CN claimed
CN-1188771-A Heterocyclic radical, sugar radical polysubstituted pyrrodiazole-like compound and synthetic method thereof CHEMICAL INST CHINESE ACADEMY (CN) 1998-07-29 CN claimed
CN-1063183-C Heterocyclic radical, sugar radical polysubstituted pyrrodiazole-like compound and synthetic method thereof CHINESE ACAD INST CHEMISTRY (CN) 2001-03-14 CN disclosed
CN-1188771-A Heterocyclic radical, sugar radical polysubstituted pyrrodiazole-like compound and synthetic method thereof CHEMICAL INST CHINESE ACADEMY (CN) 1998-07-29 CN disclosed