SCHEMBL5745448

SCHEMBL5745448

O=C1CSC(=O)N1CCCCNCCc1cccc2ccccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.43
PIM1 P11309 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MAPT P10636 1/20 0.41
MEN1 O00255 1/20 0.40
TSHR P16473 1/20 0.40
KMT2A Q03164 1/20 0.40
MTNR1A P48039 1/20 0.40
NQO2 P16083 1/20 0.40
HSD17B10 Q99714 1/20 0.39
HPGD P15428 2/20 0.39
GSK3A P49840 1/20 0.39
GSK3B P49841 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HCRTR1 O43613 1/20 0.39
LMNA P02545 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 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
SCHEMBL5768086 0.81 HTR1A (0.58) MEN1KMT2A
SCHEMBL4727354 0.76 PIM1 (0.41) GAAPIM1ALDH1A1MAPTMEN1
SCHEMBL7635264 0.76 PIM1 (0.64) GAAPIM1ALDH1A1MAPTGSK3A
SCHEMBL4861936 0.73 DRD2 (0.54) GAAALDH1A1MEN1TSHRKMT2A
SCHEMBL5746121 0.72 HTR1A (0.70)
SCHEMBL8794788 0.72 HPGD (0.64) MTNR1ANQO2HPGDLMNACA12
SCHEMBL16106841 0.72 MTNR1A (0.54) KMT2AMTNR1ANQO2HPGDCA12
Hydrochloric Acid SCHEMBL8780119 0.71 SIGMAR1 (0.56) HSD17B10KDM4EL3MBTL1
SCHEMBL14544011 0.70 CA12 (0.59) ALDH1A1KMT2AMTNR1ANQO2HSD17B10
SCHEMBL4776890 0.70 HTR1A (0.56) GAAALDH1A1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101172977-A Novel derivatives of cycloalcanodiones, method for the production thereof and their pharmacological applications CEPA SCHWARZ PHARMA S L (ES) 2008-05-07 CN claimed
EP-1544201-B1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS CEPA SCHWARZ PHARMA S L (ES) 2006-06-28 EP claimed
EP-1544201-B1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS CEPA SCHWARZ PHARMA S L (ES) 2006-06-28 EP disclosed
EP-1544201-A1 NOVEL DERIVATIVES OF CYCLOALCANODIONES, METHOD FOR THE PRODUCTION THEREOF AND THEIR PHARMACOLOGICAL APPLICATIONS Cepa Schwarz Pharma s.l. (ES) 2005-06-22 EP disclosed