SCHEMBL25947664

SCHEMBL25947664

NC(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3cc(F)ccc3s2)c1=O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 18/20 0.57
AKR1B1 P15121 1/20 0.44
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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) MAP4K1AKR1B1KDM4EALDH1A1L3MBTL1
SCHEMBL25947667 0.88 MAP4K1 (0.70) MAP4K1AKR1B1
SCHEMBL21683935 0.83 MAP4K1 (0.72) MAP4K1
SCHEMBL21683932 0.83 MAP4K1 (0.72) MAP4K1
SCHEMBL21683929 0.83 MAP4K1 (0.72) MAP4K1
SCHEMBL25947405 0.82 MAP4K1 (0.50) MAP4K1
SCHEMBL23453101 0.81 MAP4K1 (0.85) MAP4K1
SCHEMBL28598398 0.81 MAP4K1 (0.85) MAP4K1
SCHEMBL28598400 0.81 MAP4K1 (0.85) MAP4K1
SCHEMBL25947520 0.81 MAP4K1 (0.50) MAP4K1AKR1B1KDM4EALDH1A1

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