SCHEMBL9529545

SCHEMBL9529545

CSC(=NC1CCCCCCC1)Nc1ccc2cn[nH]c2c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 13/20 0.54
MAPT P10636 12/20 0.54
KDM4E B2RXH2 12/20 0.54
MEN1 O00255 3/20 0.54
KMT2A Q03164 3/20 0.54
HSD17B10 Q99714 2/20 0.54
APAF1 O14727 1/20 0.54
MAPK1 P28482 1/20 0.54
BLM P54132 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
CYP2D6 P10635 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
HIF1A Q16665 1/20 0.49
PHLPP2 Q6ZVD8 1/20 0.49
GAA P10253 2/20 0.47
RAB9A P51151 1/20 0.47
F2 P00734 2/20 0.46

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
SCHEMBL27692289 0.75 ALDH1A1 (0.61) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9628596 0.73 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9626837 0.73 NPC1 (0.49) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9529540 0.73 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9528834 0.71 ALDH1A1 (0.68) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL10453589 0.70 EPHX1 (0.50) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL10453855 0.70 EPHX1 (0.50) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL9528819 0.70 EPHX1 (0.50) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL9529344 0.70 EPHX1 (0.50) MAPTMEN1KMT2ARAB9AHTT
SCHEMBL9528549 0.70 KMT2A (0.45) ALDH1A1MAPTKDM4EMEN1KMT2A

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
EP-0299533-B1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1993-04-07 EP disclosed
EP-0289430-B1 SWEETENERS DERIVED FROM GUANIDINOACETIC AND ETHANAMIDINOACETIC ACIDS, THEIR USES AND COMPOSITIONS CONTAINING THESE SWEETENERS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1992-04-08 EP disclosed
WO-1989000563-A1 HIGH POTENCY SWEETENING AGENTS THE NUTRASWEET COMPANY (US) 1989-01-26 WO disclosed
EP-0299533-A2 High potency sweetening agents THE NUTRASWEET COMPANY (a Delaware corporation) (US) 1989-01-18 EP disclosed