SCHEMBL4619935

SCHEMBL4619935

CC(C)CNC(=O)n1cnc2ccccc21

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ASAH1 Q13510 7/20 0.64
SMN1; SMN2 Q16637 3/20 0.51
APAF1 O14727 1/20 0.48
NPC1 O15118 1/20 0.47
ALDH1A1 P00352 1/20 0.47
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
RAB9A P51151 1/20 0.47
HSD17B10 Q99714 1/20 0.47
KMT2A Q03164 3/20 0.46
MEN1 O00255 1/20 0.46
ADRB2 P07550 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRB3 P13945 1/20 0.46
HTT P42858 1/20 0.44
ADORA2A P29274 1/20 0.44
ADORA1 P30542 1/20 0.44
LMNA P02545 1/20 0.43
STAT6 P42226 1/20 0.43
FGFR1 P11362 1/20 0.43

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
SCHEMBL29795656 0.86 ASAH1 (0.67) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL28794811 0.81 ASAH1 (0.64) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL29795462 0.81 ASAH1 (0.64) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL10654951 0.79 ASAH1 (0.90) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL28073614 0.79 ASAH1 (0.61) ASAH1SMN1; SMN2APAF1NPC1ALDH1A1
SCHEMBL29795580 0.78 ASAH1 (1.00) ASAH1SMN1; SMN2NPC1ALDH1A1RAB9A
SCHEMBL29795663 0.78 ASAH1 (0.97) ASAH1NPC1ALDH1A1MAPTHPGD
SCHEMBL7106200 0.77 ASAH1 (0.64) ASAH1SMN1; SMN2NPC1ALDH1A1MAPT
SCHEMBL23122587 0.76 ASAH1 (0.39) ASAH1ALDH1A1
SCHEMBL23122417 0.76 GRIN2B (0.42) ASAH1

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-1885665-A2 DITHIOCARBAMATES AND PHOSPHITE FORMULATIONS Plant Protectants, LLC (US) 2008-02-13 EP disclosed
WO-2006127954-A2 DITHIOCARBAMATES AND PHOSPHITE FORMULATIONS PLANT PROTECTANTS, LLC (US) 2006-11-30 WO disclosed