SCHEMBL7996096

SCHEMBL7996096

NCCNCc1ccnnc1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 2/20 0.55
MC4R P32245 2/20 0.43
MC5R P33032 2/20 0.43
CHRM2 P08172 2/20 0.43
HSD17B10 Q99714 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
MC3R P41968 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAOA P21397 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN8A Q9UQD0 1/20 0.34
HRH1 P35367 2/20 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
SCHEMBL7992400 0.93 LOXL2 (0.52) LOXL2MC4RMC5RCHRM2HSD17B10
SCHEMBL3976803 0.78 ALDH1A1 (0.54) LOXL2MC4RMC5RCHRM2CYP2D6
SCHEMBL13100232 0.76 LOXL2 (0.48) LOXL2CHRM2HSD17B10CYP1A2CYP2D6
SCHEMBL3405350 0.76 CHRM2 (0.74) CHRM2CYP1A2CYP2D6ALDH1A1SCN8A
SCHEMBL9077951 0.75
SCHEMBL13521675 0.74 MC4R (0.61) MC4RMC5RCHRM2CYP1A2CYP2D6
SCHEMBL17184443 0.74 LOXL2 (0.61) LOXL2HSD17B10MAOATDP1HRH1
SCHEMBL3822630 0.73
SCHEMBL28733276 0.72 LOXL2 (0.59) LOXL2HSD17B10MAOATDP1HRH1
Hydrochloric Acid SCHEMBL18985059 0.72 LOXL2 (0.59) LOXL2HSD17B10MAOATDP1HRH1

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