SCHEMBL29526971

SCHEMBL29526971

COc1ncc(Oc2c(Cl)cc(N)cc2Cl)c(C)c1C(C)C

nearest known ligand 0.37

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 11/20 0.37
▸ P2RX2 Q9UBL9 11/20 0.37
▸ MAPT P10636 1/20 0.34
▸ RORC P51449 2/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ SCN9A Q15858 1/20 0.31
▸ MAOA P21397 1/20 0.31
▸ MAOB P27338 1/20 0.31
▸ THRB P10828 1/20 0.30
▸ NPC1 O15118 1/20 0.30

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
SCHEMBL29527165 0.82 MAPT (0.35) P2RX3P2RX2MAPTRORCCYP1A2
SCHEMBL14853414 0.74 CCNB2 (0.32) —
SCHEMBL29527631 0.74 RORC (0.53) P2RX3P2RX2MAPTRORCTHRB
SCHEMBL22959151 0.74 RORC (0.53) P2RX3P2RX2MAPTRORCTHRB
SCHEMBL23259886 0.70 MAPT (0.30) MAPT
SCHEMBL29526616 0.69 MAPT (0.33) MAPTRORCCYP1A2CYP3A4CYP2C19
SCHEMBL26420740 0.69 MAPT (0.48) P2RX3P2RX2MAPTSCN9ANPC1
SCHEMBL22632483 0.67 THRB (0.37) P2RX3P2RX2MAPTRORCTHRB
SCHEMBL29414800 0.67 THRB (0.37) P2RX3P2RX2MAPTRORCTHRB
SCHEMBL24449964 0.67 RORC (0.46) P2RX3P2RX2MAPTRORCSCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4240730-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS Aligos Therapeutics, Inc. (US) 2023-09-13 — — EP disclosed
CN-116710443-A 2-pyridones as thyroid hormone receptor modulators 阿利戈斯治疗公司 2023-09-05 — — CN disclosed
WO-2022099044-A1 2-PYRIDONES AS THYROID HORMONE RECEPTOR MODULATORS ALIGOS THERAPEUTICS, INC. (US) 2022-05-12 — — WO disclosed
Send feedback