SCHEMBL8724985

SCHEMBL8724985

Nc1nc(O)nc(N)c1NC=O

nearest known ligand 0.33

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.33

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
Water SCHEMBL8865234 0.79 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL29903490 0.77 POLB (0.31) ALDH1A1CYP2C19
SCHEMBL887977 0.77 POLB (0.31) ALDH1A1CYP2C19
SCHEMBL28486901 0.74 CDK2 (0.32) ALDH1A1CYP2C19
Formic Acid SCHEMBL28960072 0.74
SCHEMBL774775 0.74
SCHEMBL1703076 0.73 ALDH1A1 (0.33) ALDH1A1CYP2C19
SCHEMBL435598 0.70 LIMK1 (0.37) ALDH1A1CYP2C19
SCHEMBL6316984 0.70 CHUK (0.32) ALDH1A1CYP2C19
SCHEMBL19478792 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0759927-B1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES US GOV HEALTH & HUMAN SERV (US) 1998-06-24 EP disclosed
US-5612468-A GENETIC ENGINEERING THE UNITED STATES OF AMERICA AS REPRESENTED BY THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-18 US disclosed
EP-0759927-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA as represented by the SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1997-03-05 EP disclosed
US-5525711-A MONOMERS FOR DNA AMPLIFICATION PROCEDURES THE UNITED STATES OF AMERICA AS REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1996-06-11 US disclosed
WO-1995031469-A1 PTERIDINE NUCLEOTIDE ANALOGS AS FLUORESCENT DNA PROBES THE GOVERNMENT OF THE UNITED STATES OF AMERICA, REPRESENTED BY THE SECRETARY OF THE DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 1995-11-23 WO disclosed