SCHEMBL31270763

SCHEMBL31270763

O=C(Nc1ccc(C2=NCCN2)cc1)Nc1cc(NC(=O)Nc2ccc(C3=NCCN3)cc2)cc(C(=O)O)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 4/20 0.60
ACHE P22303 1/20 0.60
PPARG P37231 1/20 0.60
UBE2N P61088 3/20 0.55
PAX8 Q06710 1/20 0.55
LMNA P02545 1/20 0.55
POLB P06746 3/20 0.54
KMT2A Q03164 3/20 0.54
TDP1 Q9NUW8 2/20 0.54
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PRMT1 Q99873 1/20 0.54
BLM P54132 2/20 0.53
FDPS P14324 1/20 0.51
RUVBL1 Q9Y265 1/20 0.51
MEN1 O00255 1/20 0.50
USP2 O75604 1/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
SMPD3 Q9NY59 1/20 0.47

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
Formic Acid SCHEMBL31271011 0.95 PPARG (0.58) NISCHACHEPPARGUBE2NPAX8
SCHEMBL31270741 0.92 NISCH (0.52) NISCHACHEPPARGUBE2NPAX8
SCHEMBL15615299 0.88 ACHE (0.81) NISCHACHEPPARGUBE2NPAX8
SCHEMBL15788315 0.85 PPARG (0.61) NISCHACHEPPARGUBE2NPAX8
SCHEMBL17086964 0.85 ACHE (0.82) NISCHACHEPPARGUBE2NPAX8
SCHEMBL31270848 0.84 PPARG (0.54) NISCHACHEPPARGUBE2NPAX8
SCHEMBL25604689 0.83 ACHE (0.74) NISCHACHEPPARGUBE2NPAX8
SCHEMBL31270776 0.82 NISCH (0.55) NISCHACHEPPARGUBE2NPAX8
SCHEMBL14679056 0.82 ACHE (0.90) NISCHACHEPPARGUBE2NPAX8
SCHEMBL25606799 0.81 ACHE (0.70) NISCHACHEPPARGUBE2NPAX8

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
WO-2024220676-A1 MRNA DEGRADERS AND METHODS OF USE THEREOF UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INCORPORATED (US) 2024-10-24 WO disclosed