SCHEMBL8922846

SCHEMBL8922846

O=c1[nH]cnc2c1ncn2C[C@H]1CC[C@@H](CO)O1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.69
LMNA P02545 1/20 0.69
ALB P02768 1/20 0.69
MAPK1 P28482 1/20 0.69
HPRT1 P00492 10/20 0.52
PNP P00491 6/20 0.50

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
SCHEMBL8922145 0.82 ALDH1A1 (0.51) ALDH1A1LMNAALBMAPK1HPRT1
SCHEMBL8922569 0.82 TK1 (0.57) ALDH1A1LMNAALBMAPK1HPRT1
Didanosine SCHEMBL16695888 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1
Didanosine SCHEMBL5021456 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1
Didanosine SCHEMBL16695883 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1
Didanosine SCHEMBL16695885 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1
Didanosine SCHEMBL3363 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1
Didanosine SCHEMBL1674335 0.81 ALDH1A1 (1.00) ALDH1A1LMNAALBMAPK1
Didanosine SCHEMBL7904473 0.80 ALDH1A1 (0.95) ALDH1A1LMNAALBMAPK1
Didanosine SCHEMBL887093 0.78 ALDH1A1 (0.91) ALDH1A1LMNAALBMAPK1HPRT1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5703224-A Antiviral c-nucleoside derivatives NIPPON SHINYAKU CO. LTD. (JP) 1997-12-30 US disclosed
EP-0733630-A1 NUCLEOSIDE DERIVATIVE NIPPON SHINYAKU COMPANY, LIMITED (JP) 1996-09-25 EP disclosed