SCHEMBL9529540

SCHEMBL9529540

CSC(=Nc1ccc2cn[nH]c2c1)NC1CCCCCCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.51
MAPT P10636 7/20 0.51
KDM4E B2RXH2 5/20 0.51
HSD17B10 Q99714 3/20 0.51
MEN1 O00255 2/20 0.51
KMT2A Q03164 2/20 0.51
APAF1 O14727 1/20 0.51
MAPK1 P28482 1/20 0.51
BLM P54132 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
CDC7 O00311 3/20 0.41
WEE1 P30291 1/20 0.41
SYK P43405 1/20 0.36
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
HIF1A Q16665 1/20 0.35
PHLPP2 Q6ZVD8 1/20 0.35

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
SCHEMBL9628596 1.00 ALDH1A1 (0.51) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9626830 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9626833 0.73 ALDH1A1 (0.43) ALDH1A1MAPTKDM4EMEN1KMT2A
SCHEMBL9529545 0.73 ALDH1A1 (0.54) ALDH1A1MAPTKDM4EHSD17B10MEN1
SCHEMBL9528312 0.70 NPC1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10453737 0.70 NPC1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9528543 0.70 NPC1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9528535 0.70 NPC1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL10453738 0.70 NPC1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1
SCHEMBL9528315 0.70 NPC1 (0.39) ALDH1A1MAPTMEN1KMT2AMAPK1

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