Sugi Predict

Sugi Predict / Compounds / SCHEMBL25898613

SCHEMBL25898613

SCHEMBL25898613

C[SH](CC[C@H](NC(=O)CCCCCNC(=O)CCCC[C@H]1SCC2NC(=O)NC21)C(=O)O)C[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ HINT1 P49773 1/20 0.62
▸ HLCS P50747 3/20 0.56
▸ PRKACA P17612 2/20 0.49
▸ LCK P06239 1/20 0.47

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
SCHEMBL30520257 0.89 HINT1 (0.63) HINT1HLCS
SCHEMBL21528355 0.89 HINT1 (0.63) HINT1HLCS
SCHEMBL18119941 0.89 HINT1 (0.63) HINT1HLCS
SCHEMBL21553885 0.86 HINT1 (0.64) HINT1HLCS
SCHEMBL17666086 0.86 HINT1 (0.77) HINT1HLCS
SCHEMBL18119946 0.84 HINT1 (0.68) HINT1HLCS
SCHEMBL17652445 0.83 HINT1 (0.77) HINT1HLCS
SCHEMBL25898628 0.81 NNMT (0.48) HINT1PRKACA
SCHEMBL25546235 0.79 FASN (0.54) PRKACA
SCHEMBL28648559 0.79 HINT1 (0.75) HINT1HLCS

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
EP-4219518-A2 BIOCONJUGATES OF HETEROCYCLIC COMPOUNDS Taizhou Huifeng Hetai Biotechnology Co. Ltd (CN) 2023-08-02 — — EP disclosed