5-Bromouracil

5-Bromouracil

SCHEMBL5145285

O=C(O)CNCc1c[nH]c(=O)[nH]c1=O.O=C(O)CNCc1c[nH]c(=S)[nH]c1=O.O=c1[nH]cc(Br)c(=O)[nH]1.O=c1[nH]cc(F)c(=O)[nH]1

nearest known ligand 0.40

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

TYMS

The experimentally established mechanism targets of 5-Bromouracil. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
CYP19A1 P11511 1/20 0.40
TSHR P16473 1/20 0.40
THPO P40225 1/20 0.40
MTOR P42345 1/20 0.40
HTT P42858 1/20 0.40
HBB P68871 1/20 0.40
PMP22 Q01453 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM3B Q7LBC6 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
5-Bromouracil SCHEMBL639925 0.94 KMT2A (0.39) ALDH1A1LMNASMN1; SMN2KMT2ATDP1
SCHEMBL104627 0.82 KMT2A (0.48) ALDH1A1KMT2ATDP1KDM3B
SCHEMBL101944 0.79 LMNA (0.41) LMNASMN1; SMN2
5-Bromouracil SCHEMBL1079108 0.72 MAPT (0.76) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL9109566 0.69 KMT2A (0.46) ALDH1A1KMT2ATDP1KDM3B
Fluorouracil SCHEMBL28636004 0.69 LMNA (0.59) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL7206108 0.69 CYP3A4 (0.33) LMNASMN1; SMN2
Adipic Acid SCHEMBL28687655 0.67 LMNA (0.66) ALDH1A1LMNAMAPTCYP19A1TSHR
SCHEMBL28991875 0.67 GAA (0.46) LMNAMAPT
Fluorouracil SCHEMBL20775915 0.67 LMNA (0.70) ALDH1A1LMNAMAPTCYP19A1TSHR

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
WO-2007012807-A2 DNA STRUCTURES UNIVERSITY OF LEEDS (GB) 2007-02-01 WO disclosed