SCHEMBL9152200

SCHEMBL9152200

CO[C@]1(CO)CC[C@H](n2cnc3c(=O)[nH]cnc32)O1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.56
LMNA P02545 1/20 0.56
ALB P02768 1/20 0.56
MAPK1 P28482 1/20 0.56
ADORA3 P0DMS8 4/20 0.48
TYMP P19971 4/20 0.45
P2RX3 P56373 1/20 0.40
STING1 Q86WV6 3/20 0.39
HPRT1 P00492 1/20 0.38
GSK3A P49840 1/20 0.37
RPS6KA3 P51812 1/20 0.37
MAPK14 Q16539 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
SCHEMBL9152455 0.85 ADORA3 (0.51) ALDH1A1LMNAADORA3HPRT1
SCHEMBL9152465 0.85 ADORA3 (0.51) ALDH1A1LMNAADORA3HPRT1
SCHEMBL9548816 0.84 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9153371 0.81 ADA (0.51) ALDH1A1MAPK1ADORA3
SCHEMBL9153368 0.81 ADA (0.51) ALDH1A1MAPK1ADORA3
SCHEMBL12060727 0.81 ADA (0.51) ALDH1A1MAPK1ADORA3
SCHEMBL9152204 0.80 PI4K2A (0.38) ALDH1A1MAPK1
SCHEMBL10438061 0.80 PI4K2A (0.38) ALDH1A1MAPK1
SCHEMBL9548783 0.79 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9149291 0.78 AHCY (0.45) LMNAADORA3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5449664-A Nucleosides SYNTEX (U.S.A.) INC. (US) 1995-09-12 US disclosed
EP-0457326-A1 Antiviral agents SYNTEX (U.S.A.) INC. (US) 1991-11-21 EP disclosed