SCHEMBL25943166

SCHEMBL25943166

CC(C)(C)C(F)c1cccc2[nH]c(Cn3cccc(NC(=O)CCC/C=C/C=O)c3=O)nc12

nearest known ligand 0.47

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 15/20 0.47
ELANE P08246 3/20 0.36
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KDM4E B2RXH2 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL25938538 0.84 MAP4K1 (0.58) MAP4K1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL25943003 0.82 MAP4K1 (0.43) MAP4K1ELANEALDH1A1TSHRHSD17B10
SCHEMBL25940979 0.82 MAP4K1 (0.44) MAP4K1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL25942610 0.81 MAP4K1 (0.50) MAP4K1ALDH1A1TSHRHSD17B10
SCHEMBL25939365 0.81 MAP4K1 (0.54) MAP4K1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL25942859 0.80 MAP4K1 (0.61) MAP4K1
SCHEMBL25943141 0.80 MAP4K1 (0.54) MAP4K1
SCHEMBL25942824 0.79 MAP4K1 (0.73) MAP4K1
SCHEMBL21685676 0.77 MAP4K1 (0.40) MAP4K1ELANE
SCHEMBL21684430 0.77 MAP4K1 (0.61) 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