SCHEMBL28540550

SCHEMBL28540550

CCC1(CC)CC(c2ccccc2C)CN1S(=O)(=O)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
ACHE P22303 1/20 0.39
MAPT P10636 2/20 0.38
MMP2 P08253 3/20 0.38
LMNA P02545 1/20 0.38
HSP90AA1 P07900 1/20 0.38
KMT2A Q03164 1/20 0.38
HTT P42858 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
NOD2 Q9HC29 1/20 0.37
NOD1 Q9Y239 1/20 0.37
KDM4E B2RXH2 1/20 0.37

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
SCHEMBL28547908 0.88 ALDH1A1 (0.39) ALDH1A1ACHEMAPTMMP2LMNA
SCHEMBL28541517 0.86 MMP2 (0.47) ALDH1A1ACHEMMP2HSP90AA1KMT2A
SCHEMBL28542268 0.83 MAPT (0.47) ALDH1A1ACHEMAPTLMNAKMT2A
SCHEMBL28534735 0.81 MAPT (0.40) ALDH1A1ACHEMAPTMMP2LMNA
SCHEMBL28540365 0.80 MAPT (0.46) ALDH1A1ACHEMAPTMMP2LMNA
SCHEMBL28541495 0.80 ALDH1A1 (0.40) ALDH1A1ACHEMAPTKMT2AHTT
SCHEMBL28540543 0.78 MMP2 (0.40) ALDH1A1ACHEMAPTMMP2KMT2A
SCHEMBL28551010 0.78 HSD11B1 (0.50) ALDH1A1LMNA
SCHEMBL1792295 0.76 MMP2 (0.47) ALDH1A1ACHEMAPTMMP2LMNA
SCHEMBL28532121 0.74 NPSR1 (0.51) ALDH1A1MAPTMMP2LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112608269-B Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen 山东大学 2022-05-06 CN disclosed
CN-112608269-A Method for catalytically synthesizing pyrrolidine by weak interaction of chalcogen 山东大学 2021-04-06 CN disclosed