SCHEMBL25947458

SCHEMBL25947458

NC(=O)/C=C/CCCC(=O)Nc1cccn(Cc2nc3cccc(OCC(F)F)c3s2)c1=O

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 19/20 0.61
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32

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
SCHEMBL25947469 0.91 MAP4K1 (0.74) MAP4K1
SCHEMBL25947520 0.90 MAP4K1 (0.50) MAP4K1ALDH1A1TSHRHSD17B10
SCHEMBL25947483 0.89 MAP4K1 (0.62) MAP4K1
SCHEMBL25947405 0.86 MAP4K1 (0.50) MAP4K1
SCHEMBL21684134 0.85 MAP4K1 (0.75) MAP4K1
SCHEMBL21684138 0.85 MAP4K1 (0.75) MAP4K1
SCHEMBL21684140 0.85 MAP4K1 (0.75) MAP4K1
SCHEMBL21703252 0.84 MAP4K1 (0.85) MAP4K1
SCHEMBL28586937 0.84 MAP4K1 (0.85) MAP4K1
SCHEMBL28586941 0.84 MAP4K1 (0.85) 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