SCHEMBL9548809

SCHEMBL9548809

C[SiH](C)OC[C@H]1O[C@@H](n2cnc3c(=O)[nH]cnc32)C[C@@H]1OC(C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TYMP P19971 4/20 0.51
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
ALB P02768 1/20 0.46
MAPK1 P28482 1/20 0.46
P2RX3 P56373 1/20 0.41
STING1 Q86WV6 3/20 0.40
GSK3A P49840 2/20 0.38
RPS6KA3 P51812 2/20 0.38
MAPK14 Q16539 2/20 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
SCHEMBL9548872 0.80 PNP (0.43) LMNA
SCHEMBL15298417 0.79 TYMP (0.55) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL24097630 0.79 TYMP (0.55) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL18486209 0.79 TYMP (0.52) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL25752689 0.79 TYMP (0.52) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL12856853 0.79 TYMP (0.52) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL12541802 0.78 TYMP (0.56) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL9913205 0.76 TYMP (0.51) TYMPALDH1A1LMNAALBMAPK1
SCHEMBL23645539 0.76 POLB (0.53) TYMPGSK3ARPS6KA3MAPK14
SCHEMBL9548812 0.76 ALDH1A1 (0.55) TYMPALDH1A1LMNAALBMAPK1

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
US-5192749-A Viricide, AIDS SYNTEX (U.S.A.) INC. (US) 1993-03-09 US disclosed