SCHEMBL9548798

SCHEMBL9548798

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)O[C@]1(C=NO)CO

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
ALB P02768 1/20 0.45
MAPK1 P28482 1/20 0.45
ADORA3 P0DMS8 4/20 0.41
TYMP P19971 4/20 0.41
P2RX3 P56373 1/20 0.36
STING1 Q86WV6 4/20 0.36
GSK3A P49840 2/20 0.34
RPS6KA3 P51812 2/20 0.34
MAPK14 Q16539 2/20 0.34

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
SCHEMBL9548631 0.91 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548660 0.88 ADORA3 (0.43) ADORA3STING1
SCHEMBL9548649 0.88 ADORA3 (0.43) ADORA3STING1
SCHEMBL9548853 0.86 ALDH1A1 (0.49) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548572 0.86 ALDH1A1 (0.49) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548729 0.84 ADA (0.43) ALDH1A1MAPK1ADORA3
SCHEMBL9548709 0.84 ADA (0.43) ALDH1A1MAPK1ADORA3
SCHEMBL9548888 0.83 AHCY (0.41) LMNAADORA3
SCHEMBL9548685 0.83 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548736 0.79 ADORA3 (0.45) ALDH1A1LMNAADORA3STING1

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