SCHEMBL25948710

SCHEMBL25948710

Cc1nc(Oc2ccccc2)c2nc(Cn3cccc([N+](=O)[O-])c3=O)n(C(=O)OC(C)(C)C)c2n1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 12/20 0.43
RECQL P46063 1/20 0.33
ELANE P08246 1/20 0.33
P2RX3 P56373 1/20 0.32
RAD52 P43351 1/20 0.32
ALDH1A1 P00352 1/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
PIN1 Q13526 1/20 0.31

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
SCHEMBL21685309 0.89 MAP4K1 (0.45) MAP4K1RECQLELANEP2RX3PIN1
SCHEMBL21684901 0.80 MAP4K1 (0.57) MAP4K1RECQLELANEP2RX3ALDH1A1
SCHEMBL21684339 0.77 MAP4K1 (0.50) MAP4K1RECQLELANEHTT
SCHEMBL21685878 0.76 MAP4K1 (0.47) MAP4K1
SCHEMBL21685939 0.73 MAP4K1 (0.43) MAP4K1RECQLELANEP2RX3ALDH1A1
SCHEMBL31304001 0.72 MAP4K1 (0.44) MAP4K1RECQLELANEP2RX3ALDH1A1
SCHEMBL21684342 0.72 ELANE (0.40) MAP4K1RECQLELANEP2RX3ALDH1A1
SCHEMBL21684437 0.72 MAP4K1 (0.44) MAP4K1RECQLELANEP2RX3ALDH1A1
SCHEMBL21684452 0.71 MAP4K1 (0.43) MAP4K1RECQLELANEP2RX3ALDH1A1
SCHEMBL21685778 0.71 MAP4K1 (0.42) MAP4K1RECQLELANEALDH1A1HTT

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