SCHEMBL8521142

SCHEMBL8521142

CNc1ccc(S(=O)(=O)c2ccc(NC)cc2N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.52
▸ CA2 P00918 2/20 0.52
▸ CA1 P00915 1/20 0.52
▸ ALDH1A1 P00352 6/20 0.46
▸ PKM P14618 3/20 0.46
▸ GAA P10253 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ KDM4E B2RXH2 2/20 0.46
▸ CA9 Q16790 1/20 0.44
▸ HTR6 P50406 11/20 0.42
▸ MAPT P10636 3/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ CYP2C19 P33261 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ RECQL P46063 1/20 0.39

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
SCHEMBL5272878 0.80 L3MBTL1 (0.44) CA12CA2CA1ALDH1A1PKM
SCHEMBL9713975 0.79 HTR6 (0.50) CA12CA2CA1ALDH1A1PKM
SCHEMBL8115862 0.79 ALDH1A1 (0.46) CA12CA2CA1ALDH1A1PKM
SCHEMBL9818442 0.77 ALDH1A1 (0.46) CA2CA1ALDH1A1PKMGAA
SCHEMBL8418962 0.77 CA12 (0.67) CA12CA2CA1ALDH1A1PKM
SCHEMBL9818471 0.76 CA1 (0.57) CA12CA2CA1ALDH1A1PKM
SCHEMBL9806707 0.76 HTR6 (0.67) CA12CA2CA1ALDH1A1PKM
SCHEMBL9818477 0.74 HPGD (0.59) ALDH1A1PKMGAAHPGDKDM4E
SCHEMBL9818499 0.73 CA1 (0.57) CA12CA2CA1ALDH1A1CA9
SCHEMBL9818407 0.73 GAA (0.56) CA12CA2CA1ALDH1A1PKM

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-0573573-B1 MESOGENIC GLYCIDYL AMINES DOW CHEMICAL CO (US) 1999-09-29 — — EP claimed
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