SCHEMBL9548759

SCHEMBL9548759

CC(C)(C)[Si](C)(C)OC1C[C@H](n2cnc3c(=O)[nH]c(N)nc32)O[C@@]1(CO)COS(C)(=O)=O

nearest known ligand 0.42

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.42
POLB P06746 1/20 0.39
HINT1 P49773 4/20 0.39
HPRT1 P00492 2/20 0.37
HPGD P15428 1/20 0.37
STING1 Q86WV6 1/20 0.36

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
SCHEMBL9548754 1.00 ADORA3 (0.42) ADORA3POLBHINT1HPRT1HPGD
SCHEMBL9548756 0.91 ADORA3 (0.47) ADORA3POLBHINT1HPRT1HPGD
SCHEMBL9548741 0.91 ADORA3 (0.47) ADORA3POLBHINT1HPRT1HPGD
SCHEMBL9548838 0.88 ADORA3 (0.45) ADORA3POLBHINT1HPRT1HPGD
SCHEMBL9548842 0.88 ADORA3 (0.45) ADORA3POLBHINT1HPRT1HPGD
SCHEMBL9548596 0.84 ADORA3 (0.47) ADORA3POLBHINT1HPRT1HPGD
SCHEMBL9548601 0.84 ADORA3 (0.47) ADORA3POLBHINT1HPRT1HPGD
SCHEMBL9548677 0.84 NFKB1 (0.41) ADORA3
SCHEMBL9548668 0.84 NFKB1 (0.41) ADORA3
SCHEMBL9548736 0.82 ADORA3 (0.45) ADORA3POLBHINT1HPRT1HPGD

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