SCHEMBL29652004

SCHEMBL29652004

CC(C)CCCC(C)CCCC(C)CCCC(C)C(=O)SCCNC(=O)CCNC(=O)[C@H](O)C(C)(C)COP(=O)(O)OP(=O)(O)OC[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1OP(=O)(O)O

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAA50 Q9GZZ1 2/20 0.80
CHAT P28329 2/20 0.77
EP300 Q09472 4/20 0.76
KAT5 Q92993 2/20 0.76
AURKA O14965 2/20 0.76
KAT2B Q92831 1/20 0.76
CREBBP Q92793 1/20 0.69

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
SCHEMBL15526066 0.98 NAA50 (0.83) NAA50CHATEP300KAT5AURKA
SCHEMBL29652070 0.98 NAA50 (0.83) NAA50CHATEP300KAT5AURKA
SCHEMBL4957381 0.95 NAA50 (0.79) NAA50CHATEP300KAT5AURKA
SCHEMBL726402 0.95 NAA50 (0.82) NAA50CHATEP300KAT5AURKA
SCHEMBL29374864 0.94 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL3194348 0.94 NAA50 (0.83) NAA50CHATEP300KAT5AURKA
Ammonia Solution, Strong SCHEMBL30231959 0.94 NAA50 (0.80) NAA50CHATEP300KAT5AURKA
SCHEMBL27596832 0.94 NAA50 (0.82) NAA50CHATEP300KAT5AURKA
SCHEMBL16974407 0.93 NAA50 (0.81) NAA50CHATEP300KAT5AURKA
SCHEMBL19009010 0.93 NAA50 (0.81) NAA50CHATEP300KAT5AURKA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11845993-B2 Methods for identifying prostate cancer THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-12-19 US disclosed
EP-3492606-B1 URINE BIOMARKERS EXOSOME DIAGNOSTICS INC (US) 2023-10-04 EP disclosed
US-20230233629-A1 METHOD TO TREAT HEPATOMA WITH DENGUE VIRUSES AND A METHOD TO KILL HEPATOCELLULAR CARCINOMA TISSUES SYI BIOTECHNOLOGY CO., LTD. (TW) 2023-07-27 US disclosed
US-20230162004-A1 DEEP NEURAL NETWORKS FOR ESTIMATING POLYGENIC RISK SCORES THE BOARD OF REGENTS OF THE UNIVERSITY OF OKLAHOMA (US) 2023-05-25 US disclosed
US-20220333203-A1 URINE BIOMARKERS ORC SPV LLC 2022-10-20 US disclosed
US-20220142948-A1 COMPOSITIONS AND METHODS FOR MODULATING METABOLIC REGULATORS OF T CELL PATHOGENICITY MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2022-05-12 US disclosed