SCHEMBL25344211

SCHEMBL25344211

NC(=S)NN=CCc1ccccc1O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
GAA P10253 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
MAPT P10636 2/20 0.49
LMNA P02545 1/20 0.49
MPI P34949 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
GLA P06280 1/20 0.44
POLB P06746 2/20 0.43
MAOB P27338 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
MAOA P21397 1/20 0.42

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
SCHEMBL6742388 0.85 TSHR (0.40) KDM4EGAAL3MBTL1
Hydrochloric Acid SCHEMBL6742950 0.84 IDO1 (0.40) KDM4EGAAL3MBTL1
SCHEMBL17666941 0.78 ALDH1A1 (0.53) KDM4EGAAL3MBTL1LMNASMN1; SMN2
SCHEMBL17666943 0.78 ALDH1A1 (0.53) KDM4EGAAL3MBTL1LMNASMN1; SMN2
SCHEMBL6000579 0.78 POLB (0.41) KDM4EGAAL3MBTL1POLBMAOB
SCHEMBL1913833 0.74 KDM4E (0.52) KDM4EGAAMAPTLMNASMN1; SMN2
SCHEMBL6002455 0.73 MAOA (0.51) KDM4EGAAL3MBTL1MAPTLMNA
SCHEMBL6002142 0.73 HTT (0.49) KDM4EGAAL3MBTL1MAPTLMNA
SCHEMBL25620316 0.73 HSPA5 (0.52) KDM4EL3MBTL1MAPTLMNASMN1; SMN2
SCHEMBL8590556 0.72 ALDH1A1 (0.54) KDM4EGAAL3MBTL1LMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115976521-B Composite cooling water corrosion inhibitor and application thereof 广东腐蚀科学与技术创新研究院 2023-10-20 CN claimed
CN-115976521-A Composite cooling water corrosion inhibitor and application thereof 广东腐蚀科学与技术创新研究院 2023-04-18 CN claimed
CN-115976521-B Composite cooling water corrosion inhibitor and application thereof 广东腐蚀科学与技术创新研究院 2023-10-20 CN disclosed
WO-2023150072-A1 COMPOSITIONS AND METHODS FOR THE PRESERVATION OF PLANT MATTER SINCLAIR DAVID A (US) 2023-08-10 WO disclosed
CN-115976521-A Composite cooling water corrosion inhibitor and application thereof 广东腐蚀科学与技术创新研究院 2023-04-18 CN disclosed