SCHEMBL9706045

SCHEMBL9706045

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

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.53
ALOX12 P18054 1/20 0.53
ADRA1A P35348 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
TK1 P04183 4/20 0.51
TYMS P04818 4/20 0.51

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
SCHEMBL27389186 0.92 POLB (0.50) LMNAALOX12ADRA1ASMN1; SMN2TK1
SCHEMBL9706042 0.92 LMNA (0.49) LMNAALOX12ADRA1ASMN1; SMN2TK1
SCHEMBL9706074 0.90 POLB (0.53) LMNAALOX12ADRA1ASMN1; SMN2TK1
SCHEMBL15713242 0.86 TK1 (0.53) LMNASMN1; SMN2TK1TYMS
SCHEMBL23440065 0.84 TK1 (0.67) TK1TYMS
SCHEMBL26757571 0.84 TK1 (0.67) TK1TYMS
SCHEMBL28774920 0.84 TK1 (0.67) TK1TYMS
SCHEMBL8883 0.84 TK1 (0.67) TK1TYMS
SCHEMBL19389398 0.84 TK1 (0.52) SMN1; SMN2TK1TYMS
SCHEMBL19493129 0.83 LMNA (0.64) LMNAALOX12ADRA1ASMN1; SMN2TK1

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-0507188-A1 Substituted 2',3'-dideoxy-5-trifluoromethyluridines, method of their preparation and their use in medicaments BAYER AG (DE) 1992-10-07 EP disclosed