SCHEMBL29079479

SCHEMBL29079479

O=C1C=NC(=O)C(Cc2ccccc2)S1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.47
MAOB P27338 1/20 0.47
MAPT P10636 7/20 0.47
LMNA P02545 3/20 0.47
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MEN1 O00255 1/20 0.39
PPARG P37231 1/20 0.39
GLA P06280 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ALDH1A1 P00352 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
SCHEMBL29079476 0.70 MAPT (0.51) CA2MAOBMAPTLMNAKMT2A
SCHEMBL166570 0.67 PPARG (0.74) CA2MAOBMAPTLMNAKMT2A
SCHEMBL3073739 0.64 CA2 (1.00) CA2MAOBMAPTLMNAKMT2A
SCHEMBL1520824 0.64 MAOB (1.00) CA2MAOBMAPTLMNAKMT2A
SCHEMBL28878296 0.64 CA2 (0.45) CA2MAOBMAPTLMNAKMT2A
SCHEMBL15503737 0.63 MAPT (0.81) MAOBMAPTLMNAKMT2AKDM4E
SCHEMBL7614383 0.63 CES2 (0.37) CA2MAOBMAPTLMNA
SCHEMBL5967437 0.63 TLR9 (0.40) MAOBLMNA
SCHEMBL27565492 0.63 TLR9 (0.40) MAOBLMNA
SCHEMBL6206465 0.63 TLR9 (0.40) MAOBLMNA

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