SCHEMBL9548783

SCHEMBL9548783

N#CC1(CO)CC[C@H](n2cnc3c(=O)[nH]cnc32)O1

nearest known ligand 0.56

Predicted protein targets (top 9)

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 3/20 0.43
STING1 Q86WV6 3/20 0.39
P2RX3 P56373 1/20 0.38
HPRT1 P00492 3/20 0.38

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
SCHEMBL9548708 0.85 ADORA3 (0.51) ADORA3STING1HPRT1
SCHEMBL9548816 0.84 ALDH1A1 (0.61) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548808 0.81 ADA (0.51) ALDH1A1MAPK1ADORA3
SCHEMBL9152200 0.79 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548613 0.78 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548617 0.78 ALDH1A1 (0.53) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL9548624 0.78 AHCY (0.45) LMNAADORA3
SCHEMBL9548786 0.78 ALDH1A1 (0.54) ALDH1A1LMNAALBMAPK1ADORA3
SCHEMBL2520562 0.76 AHCY (0.47) LMNAADORA3
SCHEMBL9548750 0.73 ALDH1A1 (0.56) ALDH1A1LMNAALBMAPK1ADORA3

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