Flucytosine

Flucytosine

SCHEMBL4201130

Nc1nc(=O)[nH]cc1F.OC[C@H]1OC[C@H](O)[C@@H]1O

nearest known ligand 0.32

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TMP1

The experimentally established mechanism targets of Flucytosine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALB P02768 1/20 0.32
PRKAG1 P54619 2/20 0.31
PRKAA2 P54646 2/20 0.31
PRKAB1 Q9Y478 2/20 0.31
LMNA P02545 4/20 0.31
SMN1; SMN2 Q16637 3/20 0.31
DNMT1 P26358 2/20 0.31
ADRB1 P08588 1/20 0.31
MTOR P42345 2/20 0.30
ALDH1A1 P00352 2/20 0.30
THRB P10828 1/20 0.30
MDM2 Q00987 1/20 0.30
NCOA1 Q15788 1/20 0.30
NCOA3 Q9Y6Q9 1/20 0.30
POLB P06746 1/20 0.30
GMNN O75496 1/20 0.30
TP53 P04637 1/20 0.30
NFKB1 P19838 1/20 0.30
THPO P40225 1/20 0.30
HTT P42858 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
SCHEMBL4199979 0.86 PNP (0.32) LMNASMN1; SMN2DNMT1ADRB1MTOR
SCHEMBL4208334 0.81 ADORA2A (0.31)
SCHEMBL10340290 0.78 DPP4 (0.31) PRKAG1PRKAA2PRKAB1LMNASMN1; SMN2
Cytosine SCHEMBL4198774 0.78 LMNA (0.38) ALBLMNASMN1; SMN2DNMT1ADRB1
Fluorouracil SCHEMBL4289411 0.76 LMNA (0.50) PRKAG1PRKAA2PRKAB1LMNASMN1; SMN2
SCHEMBL4198780 0.74
Flucytosine SCHEMBL24063 0.73
Flucytosine SCHEMBL8160959 0.73 ALDH1A1 (0.37) LMNASMN1; SMN2MTORALDH1A1THPO
SCHEMBL10422311 0.72 PNP (0.31)
Flucytosine SCHEMBL3867430 0.72 ALDH1A1 (0.33) LMNASMN1; SMN2MTORALDH1A1THPO

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-7608402-B2 DNA methylation specific signal amplification LI WEIWEI 2009-10-27 US disclosed
US-20090181373-A1 DNA methylation specific signal amplification LI WEIWEI 2009-07-16 US disclosed