SCHEMBL31356395

SCHEMBL31356395

Nc1cc(Cl)c(Oc2ccc(=O)n(Cc3ccc(F)c(F)c3)c2)c(Cl)c1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.40
▸ P2RX7 Q99572 12/20 0.38
▸ GAA P10253 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ POLB P06746 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KLKB1 P03952 1/20 0.34

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
SCHEMBL23168951 1.00 MAPT (0.40) MAPTP2RX7GAAMEN1CYP1A2
SCHEMBL23168940 0.90 MAPT (0.40) MAPTP2RX7KMT2AKLKB1
SCHEMBL23168931 0.85 NPBWR1 (0.46) MAPT
SCHEMBL23168775 0.85 MAPT (0.43) MAPTMEN1CYP1A2POLBCYP3A4
SCHEMBL24820993 0.84 MKNK1 (0.42) MAPTMEN1CYP3A4CYP2D6CYP2C9
SCHEMBL23168745 0.84 KLKB1 (0.40) ALDH1A1KLKB1
SCHEMBL23168950 0.84 P2RX7 (0.40) MAPTP2RX7GAAMEN1CYP1A2
SCHEMBL29822173 0.84 P2RX7 (0.40) MAPTP2RX7GAAMEN1CYP1A2
SCHEMBL23168928 0.82 THRB (0.38) —
SCHEMBL23168751 0.81 NPBWR1 (0.37) MAPTP2RX7CYP1A2POLBCYP3A4

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
CN-114621207-B Compound serving as thyroid hormone beta receptor agonist and application thereof 广东东阳光药业股份有限公司 2025-02-11 — — CN disclosed
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