SCHEMBL7981591

SCHEMBL7981591

CC(CC(C)(C)CN)c1cn[nH]c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 1/20 0.34
AKT2 P31751 6/20 0.33
PRKACA P17612 2/20 0.33
AKT1 P31749 2/20 0.33
AKT3 Q9Y243 2/20 0.33
ROCK2 O75116 1/20 0.33
RPS6KA5 O75582 1/20 0.33
RPS6KA4 O75676 1/20 0.33
LATS1 O95835 1/20 0.33
PRKACB P22694 1/20 0.33
RPS6KB1 P23443 1/20 0.33
GRK2 P25098 1/20 0.33
RPS6KA3 P51812 1/20 0.33
PRKCD Q05655 1/20 0.33
ROCK1 Q13464 1/20 0.33
RPS6KA2 Q15349 1/20 0.33
RPS6KA1 Q15418 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33
SGK3 Q96BR1 1/20 0.33

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
SCHEMBL20348835 0.82 KCNH2 (0.35) NOS2AKT1PRKCDKCNH2LMNA
SCHEMBL20334165 0.78
SCHEMBL7981642 0.76 AKT1 (0.34) NOS2AKT2AKT1LATS1PRKCD
SCHEMBL19602949 0.75 NOS2 (0.38) NOS2AKT2AKT1KCNH2LMNA
SCHEMBL7879844 0.72
SCHEMBL25064782 0.71
SCHEMBL25129902 0.66 TRPA1 (0.46) AKT2AKT1ROCK2ROCK1
SCHEMBL10863399 0.65 AKT1 (0.43) AKT2AKT1PRKCD
SCHEMBL23739686 0.64 CLK1 (0.36) AKT1PRKCDKCNH2LMNA
SCHEMBL10864323 0.64 AKT1 (0.46) NOS2AKT2AKT1KCNH2LMNA

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 9 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-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