SCHEMBL29746650

SCHEMBL29746650

O=C1Cc2ccc(CO)cc2N1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ AHR P35869 4/20 0.56
▸ CMA1 P23946 2/20 0.56
▸ EIF2AK2 P19525 1/20 0.54
▸ CRBN Q96SW2 3/20 0.50
▸ PDK2 Q15119 1/20 0.48
▸ GAA P10253 1/20 0.45
▸ SMYD3 Q9H7B4 2/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.41
▸ MAOB P27338 3/20 0.41
▸ PDE3B Q13370 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ CA9 Q16790 1/20 0.39
▸ TDP2 O95551 2/20 0.38

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
SCHEMBL2811609 1.00 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL17080910 0.86 AHR (0.53) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL260278 0.86 AHR (0.56) AHRCMA1PDK2GAASMYD3
SCHEMBL29754234 0.84 CA9 (0.57) CRBNSMYD3MAOBCA9
SCHEMBL2221081 0.84 CA9 (0.57) CRBNSMYD3MAOBCA9
SCHEMBL24570314 0.82 AHR (0.61) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL290258 0.82 AHR (0.61) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL4509576 0.82 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL29746444 0.82 AHR (0.61) AHRCMA1EIF2AK2CRBNPDK2
SCHEMBL12123840 0.82 AHR (0.56) AHRCMA1EIF2AK2CRBNPDK2

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
CN-116583286-A Tetrahydrothienopyrimidine sulfonamide compounds 某久拉斯株式会社 2023-08-11 — — CN disclosed
WO-2022138812-A1 TETRAHYDRO THIENOPYRIDINE SULFONAMIDE COMPOUND モジュラス株式会社 2022-06-30 — — WO disclosed
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