SCHEMBL8415191

SCHEMBL8415191

[CH2]CCS(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.56
HTT P42858 4/20 0.56
KDM4E B2RXH2 1/20 0.54
HPGD P15428 1/20 0.54
LMNA P02545 2/20 0.53
GAA P10253 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.49
PKM P14618 1/20 0.47
CYP19A1 P11511 1/20 0.45
F2 P00734 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC11 Q96DB2 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
SCHEMBL756790 0.85 LMNA (0.57) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL4629972 0.81 ALDH1A1 (0.61) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL8791000 0.81 ALDH1A1 (0.56) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL29516114 0.80 LMNA (0.61) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL383077 0.80 LMNA (0.61) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL4629901 0.79 ALDH1A1 (0.58) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL4629467 0.79 GAA (0.61) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL9705909 0.79 LMNA (0.59) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL23169624 0.77 ALDH1A1 (0.52) ALDH1A1HTTKDM4EHPGDLMNA
SCHEMBL6340299 0.77 ALDH1A1 (0.56) ALDH1A1HTTKDM4EHPGDLMNA

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
US-5990353-A DEMETALLIZING AN ARYLSULFONAMIDE ALKALI METAL SALT WITH AN AROMATIC ISOCYANATE COMPOUND IN AT LEAST ONE SOLVENT; USE AS A COLOR DEVELOPER FOR A THERMAL RECORDING MATERIAL WITH IMPROVED OIL RESISTANCE AND NONPLASTICIZED YAMAMOTO CHEMICALS, INC. (JP) 1999-11-23 US disclosed