SCHEMBL10694460

SCHEMBL10694460

O=c1[nH]c(=O)n([C@H]2C[C@H](OCc3ccccc3)[C@@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1Br

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
TYMS P04818 3/20 0.44
TYMP P19971 1/20 0.43
HSP90AA1 P07900 1/20 0.42
RNASE1 P07998 1/20 0.41
TK1 P04183 2/20 0.40
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL10694464 1.00 TYMS (0.44) TYMSTYMPHSP90AA1RNASE1TK1
SCHEMBL9100241 0.89 HSP90AA1 (0.54) TYMSTYMPHSP90AA1RNASE1TK1
SCHEMBL10694863 0.89 TK1 (0.47) TYMSTYMPHSP90AA1RNASE1TK1
SCHEMBL9100246 0.89 HSP90AA1 (0.54) TYMSTYMPHSP90AA1RNASE1TK1
SCHEMBL10693954 0.89 TK1 (0.47) TYMSTYMPHSP90AA1RNASE1TK1
SCHEMBL9780827 0.88 TK1 (0.44) TYMSTYMPRNASE1TK1
SCHEMBL9780832 0.88 TK1 (0.44) TYMSTYMPRNASE1TK1
SCHEMBL10692453 0.88 LMNA (0.50) TYMSTYMPHSP90AA1RNASE1TK1
SCHEMBL10693997 0.88 LMNA (0.50) TYMSTYMPHSP90AA1RNASE1TK1
SCHEMBL10388602 0.85 TYMP (0.58) TYMSTYMPTK1

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
EP-0252989-A1 2'-DEOXY-5-TRIFLUOROMETHYLURIDINE DERIVATIVES AND PROCESS FOR THEIR PREPARATION TAIHO PHARMACEUTICAL COMPANY, LIMITED (JP) 1988-01-20 EP disclosed