SCHEMBL7981799

SCHEMBL7981799

COc1ccc(CN2CCNC2=N)cn1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.43
TRPV6 Q9H1D0 1/20 0.42
PRMT5 O14744 2/20 0.41
WDR77 Q9BQA1 1/20 0.41
CHRNB2 P17787 1/20 0.40
CHRNA4 P43681 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
JAK3 P52333 1/20 0.39
ALDH1A1 P00352 1/20 0.38
CHRNA1 P02708 1/20 0.37
CHRNA7 P36544 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37

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
SCHEMBL7996352 0.83 ALDH1A1 (0.38) SMN1; SMN2ALDH1A1CHRNA1CHRNA7HRH3
SCHEMBL7999218 0.81 CYP11B1 (0.47) CYP11B1TRPV6CHRNB2CHRNA4SMN1; SMN2
SCHEMBL7981584 0.81 CHRM1 (0.43) PRMT5WDR77SMN1; SMN2ALDH1A1CHRNA1
Desnitroimidacloprid SCHEMBL6829628 0.78 SMN1; SMN2 (0.61) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CHRNA1
SCHEMBL7992725 0.78 CYP11B1 (0.47) CYP11B1CHRNB2CHRNA4SMN1; SMN2JAK2
SCHEMBL9069341 0.78 SMN1; SMN2 (0.70) CYP11B1TRPV6PRMT5WDR77CHRNB2
SCHEMBL9069340 0.78 SMN1; SMN2 (0.70) CYP11B1TRPV6PRMT5WDR77CHRNB2
SCHEMBL24709627 0.78 GAA (0.52) SMN1; SMN2ALDH1A1
Desnitroimidacloprid SCHEMBL8637512 0.77 SMN1; SMN2 (0.60) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CHRNA1
Desnitroimidacloprid SCHEMBL10465062 0.77 SMN1; SMN2 (0.60) CHRNB2CHRNA4SMN1; SMN2ALDH1A1CHRNA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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