SCHEMBL29558779

SCHEMBL29558779

CN(C)CCCN(C1CCC(C(C)(C)C)CC1)S(=O)(=O)c1ccc2c(c1)C(=NO)c1cc(S(=O)(=O)NC3CCC(C(C)(C)C)CC3)ccc1C2=NO

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
KMT2A Q03164 4/20 0.40
MEN1 O00255 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPSR1 Q6W5P4 5/20 0.39
LMNA P02545 4/20 0.39
SMN1; SMN2 Q16637 5/20 0.38
MAPT P10636 3/20 0.38
HTT P42858 2/20 0.38
MAPK1 P28482 1/20 0.38
PARG Q86W56 1/20 0.36
PKM P14618 1/20 0.35
USP2 O75604 1/20 0.34
TSHR P16473 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NPC1 O15118 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
XBP1 P17861 1/20 0.33

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
SCHEMBL90647 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL8768025 1.00 ALDH1A1 (0.40) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL13366897 0.94 ALDH1A1 (0.36) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL6113938 0.92 KDM4E (0.47) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL29558657 0.92 KDM4E (0.47) ALDH1A1KDM4EKMT2AMEN1L3MBTL1
SCHEMBL61260 0.89 PARG (0.49) ALDH1A1KDM4EKMT2AMEN1NPSR1
SCHEMBL61324 0.80 SLC6A2 (0.40) SMN1; SMN2HTTPARGTSHRSLC6A2
SCHEMBL29902416 0.71 PARG (0.50) ALDH1A1KDM4EKMT2AL3MBTL1NPSR1
SCHEMBL60256 0.69 PARG (0.72) ALDH1A1KDM4EKMT2AMEN1LMNA
SCHEMBL31385529 0.68 KDM4E (0.58) ALDH1A1KDM4EKMT2AMEN1L3MBTL1

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