SCHEMBL31258413

SCHEMBL31258413

CC(C)(C)OC(=O)Nc1cc(Cl)c(Oc2ccc([N+](=O)[O-])c(Br)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRA P10827 7/20 0.41
THRB P10828 7/20 0.41
PKM P14618 1/20 0.41
POLB P06746 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
LMNA P02545 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C19 P33261 1/20 0.37
RAB9A P51151 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
SCHEMBL22632611 1.00 THRA (0.41) THRATHRBPKMPOLBMEN1
SCHEMBL16043830 0.81 CYP19A1 (0.46) POLBMEN1KMT2ALMNAMAPT
SCHEMBL22632750 0.79 THRB (0.57) THRATHRBPKM
SCHEMBL31258407 0.79 THRB (0.57) THRATHRBPKM
SCHEMBL22632598 0.75 PDE7A (0.44) THRATHRBPKMMEN1KMT2A
SCHEMBL38661136 0.75 PDE7A (0.44) THRATHRBPKMMEN1KMT2A
SCHEMBL29414801 0.74 THRA (0.42) THRATHRBPKMPOLBMEN1
SCHEMBL282518 0.74 RORC (0.64) THRATHRB
SCHEMBL22897658 0.74 MAPT (0.49) POLBMEN1KMT2ALMNATDP1
SCHEMBL1181428 0.74 MEN1 (0.58) POLBMEN1KMT2ALMNAMAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4523692-A2 MODULATORS OF THR-SS AND METHODS OF USE THEREOF Aligos Therapeutics, Inc. (US) 2025-03-19 EP disclosed
EP-3965884-B1 MODULATORS OF THR-BETA WITH A DIOXO-1,2,4-TRIAZYL HEAD GROUP ALIGOS THERAPEUTICS INC (US) 2025-01-15 EP disclosed