SCHEMBL9548795

SCHEMBL9548795

C[SiH](C)[C@@]1(n2cnc3c(=O)[nH]cnc32)C[C@H](OC(C)(C)C)[C@@H](C=O)O1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 4/20 0.33
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
ALB P02768 1/20 0.32
MAPK1 P28482 1/20 0.32
PNP P00491 5/20 0.32
TYMP P19971 3/20 0.32
HPRT1 P00492 2/20 0.30
P2RX3 P56373 1/20 0.30

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
SCHEMBL9548749 0.81 CDK1 (0.33) ADORA3
SCHEMBL9548623 0.72 ADORA3 (0.40) ADORA3ALDH1A1LMNAPNPHPRT1
SCHEMBL2293030 0.68 RXFP1 (0.42)
SCHEMBL9548835 0.68 ADORA2A (0.44) ADORA3MAPK1
SCHEMBL9227355 0.66 PI4KA (0.37) ADORA3
SCHEMBL9548809 0.65 TYMP (0.51) ALDH1A1LMNAALBMAPK1TYMP
SCHEMBL9548751 0.65 ADORA3 (0.40) ADORA3ALDH1A1LMNAPNPHPRT1
SCHEMBL6830811 0.65 ALDH1A1 (0.34) ALDH1A1
SCHEMBL9548775 0.64 ADORA3 (0.44) ADORA3ALDH1A1LMNAPNPHPRT1
SCHEMBL9548605 0.64 ADORA3 (0.42) ADORA3ALDH1A1LMNAPNPHPRT1

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