SCHEMBL9490109

SCHEMBL9490109

N=C(N)NCCC[C@H](N)C(=O)NCC(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TERT O14746 7/20 0.51
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GAA P10253 1/20 0.44
LTA4H P09960 1/20 0.44
CYP1A2 P05177 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
CYP2C19 P33261 1/20 0.43
HIF1A Q16665 1/20 0.43
EPHX1 P07099 2/20 0.43
NPC1 O15118 1/20 0.43
LMNA P02545 1/20 0.43
SLC1A3 P43003 1/20 0.42
SLC1A2 P43004 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
SCHEMBL2585866 0.90 EPHX1 (0.47) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL29359776 0.90 EPHX1 (0.47) MEN1KMT2APOLBMAPTL3MBTL1
Hydrochloric Acid SCHEMBL4087778 0.89 EPHX1 (0.46) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL8341764 0.84 NPY4R (0.47) MEN1KMT2APOLBMAPTL3MBTL1
SCHEMBL27352129 0.84 NPY4R (0.47) MEN1KMT2APOLBMAPTL3MBTL1
Dl-Phenylalanine SCHEMBL20580864 0.82 LTA4H (0.43) LTA4HEPHX1SLC1A3SLC1A2SLC1A1
Phenylalanine SCHEMBL18953085 0.82 LTA4H (0.43) LTA4HEPHX1SLC1A3SLC1A2SLC1A1
SCHEMBL8338954 0.80 NPY4R (0.46) TERTLTA4HEPHX1DPP8DPP9
SCHEMBL10643639 0.80 QRFPR (0.43) TERTMEN1KMT2APOLBMAPT
SCHEMBL8342382 0.79 MEN1 (0.43) MEN1KMT2APOLBMAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0255341-B1 REAGENT FOR TESTING PERIODONTAL DISEASES SUNSTAR KABUSHIKI KAISHA (JP) 1993-02-03 EP disclosed
US-5137811-A Method for diagnosing periodontal diseases with a substrate specific for aminopeptidase activity of periodontopathic bacteria SUNSTAR KABUSHIKI KAISHA (JP) 1992-08-11 US disclosed
EP-0255341-A2 Reagent for testing periodontal diseases SUNSTAR KABUSHIKI KAISHA (JP) 1988-02-03 EP disclosed