SCHEMBL7999525

SCHEMBL7999525

ClC(c1ccccc1)c1cn[nH]c1

nearest known ligand 0.50

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKT2 P31751 5/20 0.50
AKT1 P31749 2/20 0.50
ROCK1 Q13464 5/20 0.40
MYLK4 Q86YV6 5/20 0.40
TSHR P16473 1/20 0.39
ROCK2 O75116 7/20 0.39
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36

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
SCHEMBL14033960 0.82 AKT2 (0.51) AKT2AKT1TSHRROCK2
SCHEMBL2375241 0.79 AKT2 (0.48) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL16156937 0.76 AKT2 (0.45) AKT2AKT1ROCK1ROCK2
SCHEMBL6532251 0.76 SMN1; SMN2 (0.50) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL17875272 0.76 AKT2 (0.47) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL25129902 0.76 TRPA1 (0.46) AKT2AKT1ROCK1ROCK2
SCHEMBL151375 0.75 TSHR (0.65) TSHRKDM4EALDH1A1HPGD
SCHEMBL7982120 0.74 AKT1 (0.41) AKT2AKT1ROCK2
SCHEMBL28668458 0.73 AKT2 (0.49) AKT2AKT1ROCK1MYLK4ROCK2
SCHEMBL16046180 0.73 AKT2 (0.71) AKT2AKT1ROCK1MYLK4

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