SCHEMBL9626833

SCHEMBL9626833

CSC(=Nc1ccc2ncccc2c1)NC1CCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
RAB9A P51151 3/20 0.43
HTT P42858 3/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
NR2F2 P24468 1/20 0.43
MAPK1 P28482 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PDE4B Q07343 1/20 0.39
LMNA P02545 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
THRB P10828 1/20 0.38
HPGD P15428 1/20 0.38
RECQL P46063 1/20 0.38
HIF1A Q16665 1/20 0.38
NPSR1 Q6W5P4 3/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 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
SCHEMBL9626830 1.00 ALDH1A1 (0.43) ALDH1A1RAB9AHTTMAPTNPC1
SCHEMBL9529540 0.73 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTMAPK1MEN1
SCHEMBL9628596 0.73 ALDH1A1 (0.51) ALDH1A1RAB9AMAPTMAPK1MEN1
SCHEMBL9626837 0.73 NPC1 (0.49) ALDH1A1RAB9AHTTMAPTNPC1
SCHEMBL9528312 0.72 NPC1 (0.39) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL9528535 0.72 NPC1 (0.39) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL10453738 0.72 NPC1 (0.39) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL9528543 0.72 NPC1 (0.39) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL10453737 0.72 NPC1 (0.39) ALDH1A1RAB9AMAPTNPC1MAPK1
SCHEMBL9528315 0.72 NPC1 (0.39) ALDH1A1RAB9AMAPTNPC1MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
EP-0289430-A1 Sweeteners derived from guanidinoacetic and ethanamidinoacetic acids, their uses and compositions containing these sweeteners UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1988-11-02 EP disclosed