SCHEMBL22343634

SCHEMBL22343634

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

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AHCY P23526 2/20 0.45
BCHE P06276 1/20 0.45
NT5E P21589 4/20 0.44
GNMT Q14749 3/20 0.43
NNMT P40261 1/20 0.42
DOT1L Q8TEK3 2/20 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 0.96 BCHE (0.46) AHCYBCHENT5EGNMT
SCHEMBL22343633 0.93 BCHE (0.46) AHCYBCHENT5EGNMTNNMT
SCHEMBL22343636 0.92 BCHE (0.45) AHCYBCHENT5EGNMTNNMT
SCHEMBL22343651 0.92 BCHE (0.48) AHCYBCHENT5EGNMTNNMT
SCHEMBL22343739 0.87 NT5E (0.41) AHCYBCHENT5EGNMTNNMT
SCHEMBL22343607 0.87 BCHE (0.46) AHCYBCHENT5EGNMTDOT1L
SCHEMBL22343751 0.86 BCHE (0.46) AHCYBCHENT5E
SCHEMBL22343662 0.84 BCHE (0.48) AHCYBCHENT5EGNMTNNMT
SCHEMBL22343665 0.84 BCHE (0.47) AHCYBCHENT5EGNMT
SCHEMBL22323629 0.84 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