SCHEMBL7999499

SCHEMBL7999499

N=C1NCCN1Cc1cccnc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 1/20 0.54
CHRNA4 P43681 1/20 0.54
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 5/20 0.46
GAA P10253 2/20 0.46
NPC1 O15118 1/20 0.46
HSP90AA1 P07900 1/20 0.46
RAB9A P51151 1/20 0.46
PAX8 Q06710 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP11B1 P15538 1/20 0.45
HTT P42858 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
PKM P14618 1/20 0.43
KDM4E B2RXH2 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
TRPV6 Q9H1D0 1/20 0.42
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
DRD3 P35462 1/20 0.41

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
SCHEMBL10865571 0.92 CHRNB2 (0.54) CHRNB2CHRNA4MAPK1ALDH1A1GAA
SCHEMBL20569179 0.86 HRH3 (0.47) CHRNB2CHRNA4
SCHEMBL9678558 0.82 POLB (0.56) CHRNB2CHRNA4MAPK1ALDH1A1GAA
SCHEMBL246385 0.81 SIGMAR1 (0.48) ALDH1A1SMN1; SMN2KDM4ETDP1
Bromide SCHEMBL11669278 0.80 SIGMAR1 (0.47) ALDH1A1SMN1; SMN2KDM4ETDP1
SCHEMBL20569065 0.80 HPGD (0.45) ALDH1A1CYP11B1SMN1; SMN2KDM4ETDP1
SCHEMBL7981584 0.78 CHRM1 (0.43) ALDH1A1SMN1; SMN2
SCHEMBL26092460 0.77 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1ALDH1A1GAA
SCHEMBL30910100 0.77 CHRNB2 (0.50) CHRNB2CHRNA4MAPK1ALDH1A1GAA
Desnitroimidacloprid SCHEMBL6829628 0.75 SMN1; SMN2 (0.61) CHRNB2CHRNA4ALDH1A1GAASMN1; SMN2

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
WO-2022257581-A1 A CLASS OF IMIDAZOLIDINOPYRIMIDONE COMPOUNDS AND USE THEREOF IN TREATMENT OF HSCLPP-MEDIATED DISEASES 四川大学 2022-12-15 WO disclosed
US-6297374-B1 Nitroimino-nitromethylene—azole or-azine heterocyclic compounds, insecticidal compositions containing them, and insecticidal methods of using them NIHON BAYER AGROCHEM K.K. (JP) 2001-10-02 US disclosed
US-6022967-A 1-NITRO-2-CARBOXYVINYL- OR 1-NITRO-2-(DIMETHYLAMINO)VINYL-SUBSTITUTED IMIDAZOLIDINES OR TETRAHYDROPYRIMIDINES NIHON BAYER AGROCHEM K.K. (JP) 2000-02-08 US disclosed
US-5750704-A INSECTICIDES NIHON BAYER AGROCHEM K.K. (JP) 1998-05-12 US disclosed
US-5580889-A Insecticidal nitromethyl or niteoimino-heteromethyl-heterocyclics NIHON BAYER AGROCHEM K.K. (JP) 1996-12-03 US disclosed
US-5461167-A 2-chloro-5-chloromethyl thiazole; insecticide NIHON BAYER AGROCHEM K.K. (JP) 1995-10-24 US disclosed
US-5428032-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1995-06-27 US disclosed
US-5298507-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1994-03-29 US disclosed
US-5204360-A Insecticides NIHON BAYER AGROCHEM K.K. (JP) 1993-04-20 US disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4845106-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-04 US disclosed
US-4742060-A 2-(NITROIMINO)- OR 2-(NITROMETHYLENE)-IMIDAZOLIDINES AS INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K. K. (JP) 1988-05-03 US disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed