SCHEMBL29558657

SCHEMBL29558657

CN(C)CCCN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)N(CCCN(C)C)C3CCC(C(C)(C)C)CC3)ccc1C2=NO

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.47
ALDH1A1 P00352 4/20 0.47
KMT2A Q03164 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 3/20 0.44
HTT P42858 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.39
NPC1 O15118 2/20 0.38
HPGD P15428 2/20 0.38
RAB9A P51151 2/20 0.38
CYP2C9 P11712 1/20 0.38
XBP1 P17861 1/20 0.38
CYP2C19 P33261 1/20 0.38
RXFP1 Q9HBX9 1/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
KCNH2 Q12809 2/20 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
SCHEMBL6113938 1.00 KDM4E (0.47) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL90647 0.92 ALDH1A1 (0.40) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL29558779 0.92 ALDH1A1 (0.40) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL8768025 0.92 ALDH1A1 (0.40) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL13366897 0.87 ALDH1A1 (0.36) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL61324 0.86 SLC6A2 (0.40) HTTSMN1; SMN2SLC6A2SLC6A4KCNH2
SCHEMBL61260 0.79 PARG (0.49) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL20303047 0.62 KDM4E (0.59) KDM4EALDH1A1KMT2AMEN1MAPT
SCHEMBL55488 0.62 TDP2 (0.40) KMT2AMEN1MAPTNPSR1POLB
SCHEMBL29902416 0.57 PARG (0.50) KDM4EALDH1A1KMT2AMAPTHTT

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-108314663-B Derivatives of fluorene, anthracene, xanthene, dibenzosuberone and acridine and uses thereof 多格伍德药品公司 2022-05-13 CN disclosed