SCHEMBL22343636

SCHEMBL22343636

COC(=O)c1ccc(CCC(=O)c2ccccc2C(=O)O)cc1OC[C@@H]1C[C@@H](O)[C@H](n2cnc3c(N)ncnc32)O1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BCHE P06276 1/20 0.45
NT5E P21589 4/20 0.43
AHCY P23526 2/20 0.42
NNMT P40261 1/20 0.41
GNMT Q14749 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
ADORA2B P29275 1/20 0.41

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
SCHEMBL22343635 0.94 BCHE (0.46) BCHENT5EAHCYGNMT
SCHEMBL22343634 0.92 AHCY (0.45) BCHENT5EAHCYNNMTGNMT
SCHEMBL22343651 0.92 BCHE (0.48) BCHENT5EAHCYNNMTGNMT
SCHEMBL22343633 0.91 BCHE (0.46) BCHENT5EAHCYNNMTGNMT
SCHEMBL29702967 0.88 ADORA1 (0.52) NNMTGNMT
SCHEMBL22343548 0.88 ADORA1 (0.52) NNMTGNMT
SCHEMBL22343607 0.85 BCHE (0.46) BCHENT5EAHCYGNMT
SCHEMBL22343662 0.84 BCHE (0.48) BCHENT5EAHCYNNMTGNMT
SCHEMBL22343665 0.83 BCHE (0.47) BCHENT5EAHCYGNMT
SCHEMBL22323629 0.82 GNMT (0.56) NT5EGNMT

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
WO-2020163673-A1 INHIBITORS OF ADENYLATE-FORMING ENZYME MENE MEMORIAL SLOAN-KETTERING CANCER CENTER (US) 2020-08-13 WO disclosed