SCHEMBL7993536

SCHEMBL7993536

CN(C)c1ccc(CCl)cn1

nearest known ligand 0.40

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC6 Q9UBN7 1/20 0.40
KCNH2 Q12809 2/20 0.40
APP P05067 4/20 0.37
KDM1A O60341 1/20 0.35
MAP3K11 Q16584 1/20 0.34
AOC3 Q16853 2/20 0.34
CACNA1G O43497 1/20 0.34
CACNA1H O95180 1/20 0.34
CACNA1I Q9P0X4 1/20 0.34
GBA1 P04062 1/20 0.33
CNR2 P34972 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
SCHEMBL805514 0.81 KDM4E (0.43) HDAC6KCNH2APPAOC3GBA1
SCHEMBL1569639 0.79 HDAC6 (0.40) HDAC6KCNH2APPKDM1AMAP3K11
SCHEMBL165378 0.79 KCNH2 (0.40) HDAC6KCNH2APPKDM1AMAP3K11
SCHEMBL1569638 0.79 HDAC6 (0.40) HDAC6KCNH2APPKDM1AMAP3K11
SCHEMBL29505870 0.79 KCNH2 (0.40) HDAC6KCNH2APPKDM1AMAP3K11
SCHEMBL21909735 0.79 APP (0.40) HDAC6KCNH2APPKDM1AMAP3K11
Hydrochloric Acid SCHEMBL5009851 0.78 KCNH2 (0.39) HDAC6KCNH2APPKDM1AMAP3K11
Hydrochloric Acid SCHEMBL2674519 0.78 KCNH2 (0.39) HDAC6KCNH2APPKDM1AMAP3K11
SCHEMBL8427958 0.78 AOC3 (0.43) HDAC6KCNH2AOC3GBA1
SCHEMBL3568739 0.76 TAAR1 (0.42) KCNH2AOC3

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