SCHEMBL28665442

SCHEMBL28665442

COC(=O)c1cc2ccccc2n1NS(C)(=O)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.47
MTNR1B P49286 1/20 0.47
KMT2A Q03164 1/20 0.44
MCL1 Q07820 2/20 0.42
NOD2 Q9HC29 3/20 0.41
NOD1 Q9Y239 3/20 0.41
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MAPT P10636 1/20 0.40
CCR2 P41597 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
DAO P14920 1/20 0.40

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
SCHEMBL28659548 0.87 NOD2 (0.57) MTNR1AMTNR1BKMT2AMCL1NOD2
SCHEMBL16402064 0.84 PLA2G10 (0.48) KMT2AMCL1KDM4EALDH1A1CCR2
SCHEMBL29834903 0.75 L3MBTL1 (0.67) MTNR1AMTNR1BKMT2AMCL1KDM4E
SCHEMBL4486403 0.75 L3MBTL1 (0.67) MTNR1AMTNR1BKMT2AMCL1KDM4E
SCHEMBL4740170 0.75 MTNR1A (0.53) MTNR1AMTNR1BKMT2AMCL1NOD2
SCHEMBL7884242 0.75 DAO (0.64) MTNR1AMTNR1BKMT2AMCL1NOD2
SCHEMBL20969368 0.74 NOD2 (0.55) MTNR1AMTNR1BKMT2AMCL1NOD2
SCHEMBL7873282 0.74 MTNR1A (0.56) MTNR1AMTNR1BKMT2AMCL1NOD2
SCHEMBL27911009 0.74 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMCL1NOD2
SCHEMBL519307 0.74 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMCL1NOD2

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
CN-109748840-B Synthetic method of 2-substituted indole derivative 中国医学科学院药物研究所 2021-12-07 CN disclosed