SCHEMBL9534973

SCHEMBL9534973

CCC(=O)On1cnc2c(=O)[nH]cnc21

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 13/20 0.47
PNP P00491 2/20 0.41
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
ALB P02768 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL24021919 0.84 HPRT1 (0.47) HPRT1PNP
SCHEMBL1993930 0.71 HPRT1 (0.63) HPRT1PNPLMNA
SCHEMBL9533319 0.71 HPRT1 (0.64) HPRT1PNP
SCHEMBL7684892 0.70 HPRT1 (0.67) HPRT1PNP
SCHEMBL1992701 0.70 HPRT1 (0.54) HPRT1PNPALDH1A1
SCHEMBL16276016 0.70 HPRT1 (0.50) HPRT1PNPALDH1A1LMNAALB
SCHEMBL20782416 0.69 HPRT1 (0.65) HPRT1PNP
SCHEMBL7396872 0.69 HPRT1 (0.46) HPRT1PNP
SCHEMBL11243638 0.69 HPRT1 (0.49) HPRT1PNPALDH1A1LMNAALB
SCHEMBL21385661 0.68 HPRT1 (0.55) HPRT1PNPALDH1A1LMNAALB

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
EP-0522082-A4 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE 1993-06-09 EP disclosed
EP-0522082-A1 MULTI-FUNCTIONAL PHARMACEUTICAL COMPOUNDS AND METHODS OF USE. GLASKY ALVIN J (US) 1993-01-13 EP disclosed