SCHEMBL25947802

SCHEMBL25947802

CN(C)C(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3ccccc3s2)c1=O

nearest known ligand 0.64

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 16/20 0.64
HTT P42858 2/20 0.43
MAPT P10636 2/20 0.43
PKM P14618 1/20 0.43
POLB P06746 1/20 0.43
RECQL P46063 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL25947829 0.89 MAP4K1 (0.51) MAP4K1HTTMAPTPKMPOLB
SCHEMBL21703319 0.84 MAP4K1 (0.54) MAP4K1
SCHEMBL25947504 0.84 MAP4K1 (0.61) MAP4K1
SCHEMBL21683830 0.83 MAP4K1 (0.81) MAP4K1
SCHEMBL21683827 0.83 MAP4K1 (0.81) MAP4K1
SCHEMBL21703184 0.82 MAP4K1 (0.72) MAP4K1
SCHEMBL25947469 0.82 MAP4K1 (0.74) MAP4K1
SCHEMBL25947430 0.79 MAP4K1 (0.58) MAP4K1
SCHEMBL25947664 0.79 MAP4K1 (0.57) MAP4K1
SCHEMBL21703000 0.79 MAP4K1 (1.00) MAP4K1

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-4219460-A1 TRANSGLUTAMINASE 2 (TG2) INHIBITORS Sitari Pharma, Inc. (US) 2023-08-02 EP disclosed