SCHEMBL29079476

SCHEMBL29079476

CC1=NC(=O)C(Cc2ccccc2)SC1=O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.51
LMNA P02545 3/20 0.51
KMT2A Q03164 3/20 0.48
MEN1 O00255 1/20 0.48
ALDH1A1 P00352 2/20 0.48
KDM4E B2RXH2 2/20 0.44
CA2 P00918 1/20 0.44
MAOB P27338 1/20 0.44
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACE P12821 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL29079479 0.70 CA2 (0.47) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL15764626 0.68 CA2 (0.45) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL28878296 0.65 CA2 (0.45) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL166570 0.63 PPARG (0.74) MAPTLMNAKMT2AALDH1A1KDM4E
SCHEMBL38664092 0.62 MAPT (0.37) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL7469293 0.61 MAPT (0.56) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL3073739 0.61 CA2 (1.00) MAPTLMNAKMT2AMEN1KDM4E
SCHEMBL1520824 0.61 MAOB (1.00) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL15503737 0.60 MAPT (0.81) MAPTLMNAKMT2AMEN1ALDH1A1
SCHEMBL6206465 0.60 TLR9 (0.40) LMNAMAOB

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-116640308-A Method for producing polythioester amide and depolymerization method therefor 中国科学技术大学 2023-08-25 CN disclosed