SCHEMBL10972005

SCHEMBL10972005

CC(=O)Nc1ccc2c(c1)S(=O)(=O)c1ccccc1C2=O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAOA P21397 9/20 1.00
KMT2A Q03164 4/20 0.66
ALDH1A1 P00352 4/20 0.66
MEN1 O00255 3/20 0.66
SMN1; SMN2 Q16637 2/20 0.66
NPC1 O15118 1/20 0.66
MAPT P10636 1/20 0.66
RAB9A P51151 1/20 0.66
CHEK1 O14757 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.56
LMNA P02545 1/20 0.55

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
SCHEMBL5111868 0.84 MAOA (0.81) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL21840827 0.82 MAOA (0.90) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL14414742 0.81 CHEK1 (0.75) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL2812760 0.80 MAOA (1.00) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL9261554 0.79 MAOA (0.97) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL29539012 0.79 MAOA (0.97) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3954523 0.79 MAOA (0.84) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL3151374 0.75 ALDH1A1 (0.71) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL6263718 0.75 MAOA (0.90) MAOAKMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL22321720 0.74 MAOA (0.83) MAOAKMT2AALDH1A1MEN1SMN1; SMN2

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-0150891-A1 Tricyclic compounds, processes for their preparation, compositions containing such compounds and their use in medicine THE WELLCOME FOUNDATION LIMITED (GB) 1985-08-07 EP disclosed