SCHEMBL9548672

SCHEMBL9548672

CC(=O)OC[C@@]1(C#N)O[C@@H](n2cnc3c(N)ncnc32)CC1O[Si](C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSP90B1 P14625 1/20 0.38
ADA P00813 1/20 0.38
AHCY P23526 2/20 0.38
ADCY5 O95622 11/20 0.37
P2RY1 P47900 1/20 0.37

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
SCHEMBL9548665 1.00 HSP90B1 (0.38) HSP90B1ADAAHCYADCY5P2RY1
SCHEMBL9548704 0.91 HINT1 (0.37) HSP90B1AHCYP2RY1
SCHEMBL9548803 0.86 ALDH1A1 (0.41)
SCHEMBL9548589 0.86 AHCY (0.44) HSP90B1ADAAHCYADCY5
SCHEMBL9548593 0.86 AHCY (0.44) HSP90B1ADAAHCYADCY5
SCHEMBL9548655 0.85 HINT1 (0.40)
SCHEMBL9548664 0.85 HINT1 (0.40)
SCHEMBL12237562 0.81 HINT1 (0.39) HSP90B1AHCYP2RY1
SCHEMBL2524224 0.81 HINT1 (0.39) HSP90B1AHCYP2RY1
SCHEMBL9548721 0.78 PDE3A (0.37)

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