SCHEMBL7837078

SCHEMBL7837078

O=C(O)c1cccc(C(=CO)C(=O)c2cn(S(=O)(=O)c3ccccc3)c3ccc(Cl)cc23)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ AKR1C3 P42330 3/20 0.41
▸ AKR1C1 Q04828 2/20 0.41
▸ HTR6 P50406 3/20 0.40
▸ TNF P01375 2/20 0.40
▸ PLK1 P53350 1/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ ACLY P53396 2/20 0.39
▸ PPARG P37231 3/20 0.39
▸ PPARD Q03181 3/20 0.39
▸ PPARA Q07869 3/20 0.39
▸ CMA1 P23946 1/20 0.38
▸ TNFSF11 O14788 1/20 0.38
▸ CA2 P00918 1/20 0.38
▸ CA9 Q16790 1/20 0.38
▸ ALOX5 P09917 1/20 0.37
▸ PTGS2 P35354 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
SCHEMBL6764407 0.84 LMNA (0.44) LMNASMN1; SMN2AKR1C3AKR1C1HTR6
SCHEMBL1466360 0.81 AKR1C3 (0.60) LMNASMN1; SMN2AKR1C3AKR1C1HTR6
SCHEMBL6769055 0.76 LMNA (0.71) LMNASMN1; SMN2AKR1C3AKR1C1HTR6
SCHEMBL3132223 0.75 AKR1C3 (0.58) LMNASMN1; SMN2AKR1C3AKR1C1HTR6
SCHEMBL6773745 0.74 MEN1 (0.53) LMNASMN1; SMN2HTR6TNFPLK1
SCHEMBL6768534 0.74 LMNA (0.48) LMNASMN1; SMN2AKR1C3AKR1C1HTR6
SCHEMBL7135129 0.74 LMNA (0.48) LMNASMN1; SMN2AKR1C3AKR1C1HTR6
SCHEMBL1041051 0.73 LMNA (0.53) LMNASMN1; SMN2AKR1C3AKR1C1HTR6
SCHEMBL2511452 0.72 LMNA (0.53) LMNASMN1; SMN2AKR1C3AKR1C1HTR6
SCHEMBL6765084 0.72 LMNA (0.71) LMNASMN1; SMN2AKR1C3AKR1C1HTR6

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
EP-1069111-A1 INDOLE DERIVATIVES WITH ANTIVIRAL ACTIVITY SHIONOGI & CO., LTD. (JP) 2001-01-17 — — EP disclosed
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