SCHEMBL25940536

SCHEMBL25940536

CC(C)(C)Cc1cccc2[nH]c(Cn3cccc(NC(=O)CCC/C=C/C(N)=O)c3=O)nc12

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 18/20 0.49
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL25938321 0.90 MAP4K1 (0.60) MAP4K1ALDH1A1TSHRHSD17B10
SCHEMBL25942729 0.88 MAP4K1 (0.50) MAP4K1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL25941720 0.87 MAP4K1 (0.48) MAP4K1ALDH1A1TSHRHSD17B10KDM4E
SCHEMBL21683532 0.85 MAP4K1 (0.62) MAP4K1
SCHEMBL21683534 0.85 MAP4K1 (0.62) MAP4K1
SCHEMBL21683528 0.85 MAP4K1 (0.62) MAP4K1
SCHEMBL25942005 0.84 MAP4K1 (0.49) MAP4K1
SCHEMBL25943440 0.84 MAP4K1 (0.46) MAP4K1
SCHEMBL25942859 0.84 MAP4K1 (0.61) MAP4K1
SCHEMBL21703041 0.83 MAP4K1 (0.72) 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