SCHEMBL25944744

SCHEMBL25944744

CC(C)Cc1cccc2cc(Cn3cccc(NC=O)c3=O)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 9/20 0.56
PTGER3 P43115 8/20 0.37
PARP1 P09874 1/20 0.34
PKM P14618 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CYP1A2 P05177 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL25945712 0.89 MAP4K1 (0.46) MAP4K1PTGER3ALDH1A1
SCHEMBL25950670 0.87 MAP4K1 (0.45) MAP4K1PTGER3PKMSMN1; SMN2ALDH1A1
SCHEMBL25944716 0.84 MAP4K1 (0.41) MAP4K1PTGER3PARP1PKMSMN1; SMN2
SCHEMBL21703352 0.83 MAP4K1 (0.50) MAP4K1PTGER3PARP1ALDH1A1
SCHEMBL25944728 0.80 MAP4K1 (0.59) MAP4K1PTGER3ALDH1A1TSHRHSD17B10
SCHEMBL25944756 0.80 MAP4K1 (0.57) MAP4K1PTGER3ALDH1A1TSHRHSD17B10
SCHEMBL25938330 0.78 MAP4K1 (0.56) MAP4K1PTGER3PKMSMN1; SMN2ALDH1A1
SCHEMBL25944793 0.77 MAP4K1 (0.60) MAP4K1ALDH1A1TSHRHSD17B10
SCHEMBL25950538 0.76 MAP4K1 (0.46) MAP4K1PTGER3PKMSMN1; SMN2CYP1A2
SCHEMBL23453075 0.74 MAP4K1 (0.70) 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