SCHEMBL29098362

SCHEMBL29098362

O=C1C=CC(=O)C(Nc2cccc(O)c2)=C1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 2/20 0.50
▸ TSHR P16473 1/20 0.50
▸ HDAC6 Q9UBN7 1/20 0.50
▸ BRAF P15056 4/20 0.46
▸ DNM1 Q05193 1/20 0.44
▸ RAPGEF4 Q8WZA2 1/20 0.44
▸ GSK3B P49841 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ CYP1A2 P05177 2/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ USP2 O75604 1/20 0.41
▸ APP P05067 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ ALOX12 P18054 1/20 0.41

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
SCHEMBL30193381 0.86 DNM1 (0.60) CYP3A4TSHRHDAC6BRAFDNM1
SCHEMBL23831114 0.86 DNM1 (0.60) CYP3A4TSHRHDAC6BRAFDNM1
SCHEMBL29098354 0.80 CDC25B (0.60) GSK3BALDH1A1MEN1KMT2AMAPT
SCHEMBL11805322 0.79 DNM1 (0.71) CYP3A4TSHRDNM1ALDH1A1MEN1
SCHEMBL2037194 0.78 MAPT (0.52) TSHRDNM1ALDH1A1MEN1KMT2A
SCHEMBL11677342 0.78 DNM1 (0.50) CYP3A4TSHRHDAC6BRAFDNM1
SCHEMBL1389429 0.73 CYP3A4 (0.86) CYP3A4TSHRHDAC6BRAFRAPGEF4
SCHEMBL30026816 0.73 CYP3A4 (0.86) CYP3A4TSHRHDAC6BRAFRAPGEF4
SCHEMBL13302358 0.71 CYP3A4 (0.82) CYP3A4TSHRHDAC6BRAFRAPGEF4
SCHEMBL1920769 0.69 CYP3A4 (0.86) CYP3A4TSHRHDAC6BRAFRAPGEF4

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-115605205-A Compounds for treating or preventing infections of the family coronaviridae and methods and uses for assessing the occurrence of infections of the family coronaviridae ABIVAX公司(FR) 2023-01-13 — — CN disclosed
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