Fluorouracil

Fluorouracil

SCHEMBL28636004

CNCC(=O)O.O=c1[nH]cc(F)c(=O)[nH]1

nearest known ligand 0.59

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TYMS

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

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.59
ALDH1A1 P00352 3/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
MAPT P10636 1/20 0.59
CYP19A1 P11511 1/20 0.59
TSHR P16473 1/20 0.59
THPO P40225 1/20 0.59
MTOR P42345 1/20 0.59
HTT P42858 1/20 0.59
HBB P68871 1/20 0.59
PMP22 Q01453 1/20 0.59
GAA P10253 1/20 0.38
ATAD2 Q6PL18 1/20 0.38
CYP3A4 P08684 1/20 0.35
CYP1A2 P05177 1/20 0.35
POLB P06746 1/20 0.35

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
Fluorouracil SCHEMBL28206325 0.83 LMNA (0.68) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Fluorouracil SCHEMBL20775915 0.82 LMNA (0.70) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Fluorouracil SCHEMBL27747751 0.81 LMNA (0.76) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Fluorouracil SCHEMBL30516153 0.81 LMNA (0.63) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Fluorouracil SCHEMBL21570798 0.79 LMNA (0.61) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Fluorouracil SCHEMBL10004716 0.79 LMNA (0.61) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Fluorouracil SCHEMBL27927726 0.79 LMNA (0.86) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Adipic Acid SCHEMBL28687655 0.79 LMNA (0.66) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Fluorouracil SCHEMBL21525858 0.78 LMNA (0.76) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1
Fluorouracil SCHEMBL28194757 0.78 LMNA (0.76) LMNAALDH1A1SMN1; SMN2MAPTCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116640096-A 5-fluorouracil-sarcosine eutectic crystal and preparation method and application thereof 河北医科大学 2023-08-25 CN claimed
CN-116640096-A 5-fluorouracil-sarcosine eutectic crystal and preparation method and application thereof 河北医科大学 2023-08-25 CN disclosed
CN-116640096-A 5-fluorouracil-sarcosine eutectic crystal and preparation method and application thereof 河北医科大学 2023-08-25 CN disclosed
CN-116640096-A 5-fluorouracil-sarcosine eutectic crystal and preparation method and application thereof 河北医科大学 2023-08-25 CN disclosed
CN-113234028-B 5-fluorouracil and sarcosine cocrystal and preparation method and application thereof 上海大学 2022-08-26 CN disclosed
CN-113234028-A 5-fluorouracil and sarcosine cocrystal and preparation method and application thereof 上海大学 2021-08-10 CN disclosed