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SCHEMBL9548685

SCHEMBL9548685

CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](n2cnc3c(=O)[nH]cnc32)O[C@@]1(CO)CI

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.46
▸ LMNA P02545 1/20 0.46
▸ ALB P02768 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ ADORA3 P0DMS8 4/20 0.42
▸ TYMP P19971 4/20 0.42
▸ STING1 Q86WV6 3/20 0.37
▸ P2RX3 P56373 1/20 0.35
▸ PNP P00491 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
SCHEMBL9548572 0.95 ALDH1A1 (0.49) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548853 0.87 ALDH1A1 (0.49) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548838 0.87 ADORA3 (0.45) ALDH1A1LMNAADORA3STING1PNP
SCHEMBL9548842 0.87 ADORA3 (0.45) ALDH1A1LMNAADORA3STING1PNP
SCHEMBL9548631 0.84 ALDH1A1 (0.46) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548630 0.84 ADA (0.44) ALDH1A1MAPK1ADORA3
SCHEMBL9548635 0.84 ADA (0.44) ALDH1A1MAPK1ADORA3
SCHEMBL9548798 0.83 ALDH1A1 (0.45) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548627 0.82 AHCY (0.42) LMNAADORA3PNP
SCHEMBL9548741 0.81 ADORA3 (0.47) ALDH1A1LMNAADORA3STING1PNP

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