SCHEMBL10692453

SCHEMBL10692453

O=c1[nH]c(=O)n([C@@H]2CC(OCc3ccccc3)[C@H](COC(c3ccccc3)(c3ccccc3)c3ccccc3)O2)cc1C(F)(F)F

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.50
ALOX12 P18054 1/20 0.50
ADRA1A P35348 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
HSP90AA1 P07900 1/20 0.43
TYMP P19971 1/20 0.42
TYMS P04818 4/20 0.41
RNASE1 P07998 1/20 0.40
TK1 P04183 2/20 0.39

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
SCHEMBL10693997 1.00 LMNA (0.50) LMNAALOX12ADRA1ASMN1; SMN2HSP90AA1
SCHEMBL10613408 0.90 LMNA (0.51) LMNAALOX12ADRA1ASMN1; SMN2HSP90AA1
SCHEMBL10613405 0.90 LMNA (0.51) LMNAALOX12ADRA1ASMN1; SMN2HSP90AA1
SCHEMBL9100241 0.89 HSP90AA1 (0.54) LMNASMN1; SMN2HSP90AA1TYMPTYMS
SCHEMBL9100246 0.89 HSP90AA1 (0.54) LMNASMN1; SMN2HSP90AA1TYMPTYMS
SCHEMBL10693954 0.88 TK1 (0.47) HSP90AA1TYMPTYMSRNASE1TK1
SCHEMBL10694460 0.88 TYMS (0.44) SMN1; SMN2HSP90AA1TYMPTYMSRNASE1
SCHEMBL10694863 0.88 TK1 (0.47) HSP90AA1TYMPTYMSRNASE1TK1
SCHEMBL10694464 0.88 TYMS (0.44) SMN1; SMN2HSP90AA1TYMPTYMSRNASE1
SCHEMBL9780827 0.87 TK1 (0.44) TYMPTYMSRNASE1TK1

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