SCHEMBL7993618

SCHEMBL7993618

NCCNCc1cnc(C(F)(F)F)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.38
MC5R P33032 2/20 0.38
VNN1 O95497 2/20 0.33
SCN8A Q9UQD0 2/20 0.33
MC3R P41968 1/20 0.33
MAPK1 P28482 1/20 0.31
RHOC P08134 1/20 0.31
RHOA P61586 1/20 0.31
CHRM2 P08172 2/20 0.31
CA12 O43570 2/20 0.31
CA6 P23280 2/20 0.31
CA7 P43166 2/20 0.31
CA9 Q16790 2/20 0.31
CA14 Q9ULX7 2/20 0.31
CA5B Q9Y2D0 2/20 0.31
MEN1 O00255 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
TRPV3 Q8NET8 1/20 0.31
LMNA P02545 2/20 0.30

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
SCHEMBL7992531 0.88 MC4R (0.37) MC4RMC5RMC3RCHRM2CA12
SCHEMBL8000383 0.86 MC4R (0.36) MC4RMC5RMC3RRHOCRHOA
SCHEMBL7995384 0.79 MC4R (0.41) MC4RMC5RSCN8AMC3RCHRM2
SCHEMBL7996475 0.78 PTPN1 (0.39) MC4RMC5RMC3R
SCHEMBL7993639 0.78 SCN8A (0.37) MC4RMC5RSCN8AMC3R
SCHEMBL10864174 0.78 KDM1A (0.46) MC4RMC5RCHRM2
SCHEMBL7993501 0.77 MC4R (0.34) MC4RMC5R
SCHEMBL7999533 0.76 MC4R (0.33) MC4RMC5R
SCHEMBL7995408 0.76 MC4R (0.41) MC4RMC5RSCN8AMC3RCHRM2
SCHEMBL7995502 0.76 MC4R (0.41) MC4RMC5RMC3RCHRM2CA12

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