SCHEMBL6574229

SCHEMBL6574229

N=C1CCCN1Cc1[nH]c(=O)[nH]c(=O)c1Br

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TYMP P19971 15/20 0.72
INMT O95050 1/20 0.37
MAPT P10636 1/20 0.37
HTT P42858 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
Hydrochloric Acid SCHEMBL1682937 0.98 TYMP (0.72) TYMPINMTMAPTHTTRAB9A
SCHEMBL20799905 0.84 TYMP (0.70) TYMPINMTMAPTHTTRAB9A
Tipiracil SCHEMBL1682960 0.84 TYMP (1.00) TYMPINMT
Tipiracil SCHEMBL1682924 0.82 TYMP (1.00) TYMP
SCHEMBL14388372 0.81 TYMP (0.67) TYMPINMT
SCHEMBL22103038 0.81 TYMP (0.67) TYMPINMT
SCHEMBL1682949 0.80 TYMP (0.65) TYMPINMTSMN1; SMN2
SCHEMBL1682952 0.76 TYMP (0.43) TYMP
SCHEMBL1682944 0.74 TYMP (0.65) TYMP
SCHEMBL20799917 0.70 TYMP (0.52) TYMPINMTMAPTHTTRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0884051-B1 CANCEROUS METASTASIS INHIBITORS CONTAINING URACIL DERIVATIVES TAIHO PHARMACEUTICAL CO LTD (JP) 2004-12-15 EP claimed
EP-0763529-B1 URACIL DERIVATIVES, AND ANTITUMOR EFFECT POTENTIATOR AND ANTITUMOR AGENT CONTAINING THE SAME TAIHO PHARMACEUTICAL CO LTD (JP) 2003-07-23 EP claimed
EP-0763529-A1 URACIL DERIVATIVES, AND ANTITUMOR EFFECT POTENTIATOR AND ANTITUMOR AGENT CONTAINING THE SAME TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1997-03-19 EP claimed