SCHEMBL30679596

SCHEMBL30679596

CC1=NN(c2ccc3c(S(=O)(=O)O)cc(S(=O)(=O)O)cc3c2)C(=O)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.52
ALDH1A1 P00352 7/20 0.52
GAA P10253 4/20 0.52
LMNA P02545 2/20 0.52
KMT2A Q03164 7/20 0.50
CASP6 P55212 2/20 0.50
CA1 P00915 2/20 0.49
CA2 P00918 2/20 0.49
CA9 Q16790 2/20 0.49
KDM4E B2RXH2 5/20 0.48
MEN1 O00255 5/20 0.46
TDP1 Q9NUW8 4/20 0.46
POLB P06746 2/20 0.46
THRB P10828 1/20 0.46
CTDSP1 Q9GZU7 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
APP P05067 8/20 0.45
HTT P42858 1/20 0.45
RECQL P46063 1/20 0.44
CYP1A2 P05177 1/20 0.44

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
SCHEMBL13461208 1.00 MAPT (0.52) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL2223232 0.78 MAPT (0.66) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL5386301 0.76 CA1 (0.76) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL29658293 0.76 CA1 (0.76) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL28623792 0.73 CA1 (0.50) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL8072508 0.73 MAPT (0.74) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL10654200 0.72 POLB (0.58) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL3248340 0.71 ALDH1A1 (0.48) MAPTALDH1A1GAALMNAKMT2A
SCHEMBL8469484 0.71 ALDH1A1 (0.52) ALDH1A1LMNACASP6CYP1A2
SCHEMBL6947889 0.70 MAPT (0.54) MAPTALDH1A1GAALMNAKMT2A

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-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN claimed
CN-117321042-A Oxodihydro indole compounds for the treatment of inflammatory diseases or cancers 豪夫迈·罗氏有限公司 2023-12-29 CN disclosed