SCHEMBL28359802

SCHEMBL28359802

O=C(CCc1c[nH]c2ccccc12)NC(CS)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.61
MAPT P10636 2/20 0.61
GAA P10253 1/20 0.61
ACE P12821 3/20 0.58
KDM4E B2RXH2 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
HCRTR1 O43613 1/20 0.56
ECE1 P42892 4/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
RECQL P46063 1/20 0.56
FAAH O00519 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
SCHEMBL28359800 1.00 ALDH1A1 (0.61) ALDH1A1MAPTGAAACEKDM4E
SCHEMBL28359787 0.93 KDM4E (0.69) ALDH1A1MAPTACEKDM4EL3MBTL1
SCHEMBL28359789 0.93 KDM4E (0.69) ALDH1A1MAPTACEKDM4EL3MBTL1
SCHEMBL28359796 0.88 ECE1 (0.62) ACEECE1
SCHEMBL28359797 0.88 ECE1 (0.62) ACEECE1
SCHEMBL2489043 0.87 KMT2A (0.72) ALDH1A1MAPTGAAACEKDM4E
SCHEMBL11491748 0.83 ACE (0.68) ACEECE1
SCHEMBL11271279 0.83 ACE (0.68) ACEECE1
SCHEMBL9752019 0.83 ALDH1A1 (0.58) ALDH1A1MAPTGAAKDM4EL3MBTL1
SCHEMBL26616624 0.82 MAPT (0.67) ALDH1A1MAPTGAAKDM4EL3MBTL1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110681362-B Mixed-mode chromatography medium with carboxyl and indolyl as functional groups 浙江大学 2020-09-11 CN claimed
CN-110681362-A Mixed-mode chromatography medium with carboxyl and indolyl as functional groups 浙江大学 2020-01-14 CN claimed
CN-110681362-B Mixed-mode chromatography medium with carboxyl and indolyl as functional groups 浙江大学 2020-09-11 CN disclosed
CN-110681362-B Mixed-mode chromatography medium with carboxyl and indolyl as functional groups 浙江大学 2020-09-11 CN disclosed
CN-110681362-A Mixed-mode chromatography medium with carboxyl and indolyl as functional groups 浙江大学 2020-01-14 CN disclosed
CN-110681362-A Mixed-mode chromatography medium with carboxyl and indolyl as functional groups 浙江大学 2020-01-14 CN disclosed