SCHEMBL10708875

SCHEMBL10708875

N#Cc1nc(C(=O)O)n([C@@H]2O[C@H](COC(=O)c3ccccc3)[C@@H](O)[C@H]2O)c1O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ HTT P42858 1/20 0.50
▸ HSPA2 P54652 2/20 0.41
▸ PNP P00491 1/20 0.41
▸ P2RY6 Q15077 2/20 0.40
▸ P2RY14 Q15391 2/20 0.40
▸ NT5E P21589 1/20 0.40
▸ POLB P06746 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ TYMP P19971 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ ST6GAL1 P15907 1/20 0.37

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
SCHEMBL10704722 0.85 ALDH1A1 (0.36) ALDH1A1HTTHSPA2LMNA
SCHEMBL10620674 0.81 ALDH1A1 (0.53) ALDH1A1HTTPNPLMNA
SCHEMBL6273371 0.73 ALDH1A1 (0.53) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL6273372 0.73 ALDH1A1 (0.53) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL10708190 0.73 ALDH1A1 (0.49) ALDH1A1HTTPNPPOLBMEN1
SCHEMBL7830323 0.72 ALDH1A1 (0.48) ALDH1A1HTTPOLBKMT2AGAA
SCHEMBL10620684 0.72 ALDH1A1 (0.48) ALDH1A1HTTHSPA2PNPP2RY6
SCHEMBL441997 0.71 LMNA (0.66) ALDH1A1HTTP2RY6P2RY14NT5E
SCHEMBL13678671 0.71 LMNA (0.66) ALDH1A1HTTP2RY6P2RY14NT5E
Hydrochloric Acid SCHEMBL11852550 0.70 LMNA (0.65) ALDH1A1HTTP2RY6P2RY14NT5E

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-0155164-B1 NOVEL CYANOIMIDAZOLE NUCLEOSIDE DERIVATIVES SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1988-11-17 — — EP claimed
Send feedback