SCHEMBL9178404

SCHEMBL9178404

Nc1nc(N)nc(Oc2ccccc2)n1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
PAX8 Q06710 1/20 0.48
MAOA P21397 1/20 0.48
LTA4H P09960 1/20 0.48
TSHR P16473 1/20 0.48
NUDT1 P36639 1/20 0.47
POLB P06746 3/20 0.46
ADORA2A P29274 2/20 0.46
ADORA3 P0DMS8 1/20 0.46
ADORA2B P29275 1/20 0.46
ADORA1 P30542 1/20 0.46
IKBKB O14920 1/20 0.44
BRAF P15056 1/20 0.44
BCAT2 O15382 1/20 0.44
MAOB P27338 1/20 0.43
KMT2A Q03164 4/20 0.42
MEN1 O00255 3/20 0.42
HPGD P15428 2/20 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
SCHEMBL14030967 0.86 NPC1 (0.54) SMN1; SMN2NPC1RAB9APAX8MAOA
SCHEMBL8524606 0.85 ADORA2A (0.62) SMN1; SMN2PAX8TSHRPOLBADORA2A
SCHEMBL1006428 0.83 PAX8 (0.63) SMN1; SMN2NPC1RAB9APAX8MAOA
SCHEMBL27993269 0.82 NPC1 (0.49) SMN1; SMN2NPC1RAB9APAX8MAOA
SCHEMBL24262518 0.80 KMT2A (0.61) SMN1; SMN2PAX8MAOALTA4HTSHR
SCHEMBL31069908 0.80 MAOA (0.71) SMN1; SMN2NPC1RAB9APAX8MAOA
SCHEMBL3416586 0.79 MAP4K4 (0.45) SMN1; SMN2NPC1RAB9APAX8MAOA
SCHEMBL16828235 0.77 ADORA2A (0.55) SMN1; SMN2NPC1RAB9AMAOALTA4H
SCHEMBL7895245 0.76 NUDT1 (0.69) SMN1; SMN2NPC1RAB9AMAOALTA4H
SCHEMBL21067529 0.75 NPC1 (0.59) SMN1; SMN2NPC1RAB9ALTA4HHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0460612-B1 Reduction and inhibition of etu content in alkylenebisdithiocarbamates ATOCHEM AGRI SA (FR) 1995-05-10 EP claimed
US-5100915-A REDUCTION AND INHIBITION OF ETU CONTENT IN ALKYLENEBISDITHIOCARBAMATES PENNWALT FRANCE S.A. (FR) 1992-03-31 US claimed
EP-0460612-A1 Reduction and inhibition of etu content in alkylenebisdithiocarbamates ATOCHEM AGRI S.A. (FR) 1991-12-11 EP claimed
CN-1330696-C Polyacetal resin composition and method for producing same POLYPLASTICS CO (JP) 2007-08-08 CN disclosed
CN-1732219-A Polyacetal resin composition and method for producing same POLYPLASTICS CO (JP) 2006-02-08 CN disclosed
EP-0446662-B1 Enhanced reduction and inhibition of ETU content in alkylenebisdithiocarbamates PENNWALT FRANCE (FR) 1995-05-24 EP disclosed
EP-0460612-B1 Reduction and inhibition of etu content in alkylenebisdithiocarbamates ATOCHEM AGRI SA (FR) 1995-05-10 EP disclosed
US-5100915-A REDUCTION AND INHIBITION OF ETU CONTENT IN ALKYLENEBISDITHIOCARBAMATES PENNWALT FRANCE S.A. (FR) 1992-03-31 US disclosed
EP-0460612-A1 Reduction and inhibition of etu content in alkylenebisdithiocarbamates ATOCHEM AGRI S.A. (FR) 1991-12-11 EP disclosed
EP-0446662-A2 Enhanced reduction and inhibition of ETU content in alkylenebisdithiocarbamates PENNWALT FRANCE S.A. (FR) 1991-09-18 EP disclosed
US-5021594-A Mixing with formaldehyde donor and copolymerization agent to react with ethylenethiourea PENNWALT FRANCE S.A. (FR) 1991-06-04 US disclosed
US-4477622-A HETEROGENITY MOLEXULAR WEIGHT DISTRIBUTION ROHM AND HAAS COMPANY (US) 1984-10-16 US disclosed
US-4148637-A Silane coupling agent in protective layer of photoconductive element RICOH CO., LTD. (JP) 1979-04-10 US disclosed