SCHEMBL7998409

SCHEMBL7998409

NCCNCc1ccc(F)nn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 2/20 0.35
MC5R P33032 2/20 0.35
CA12 O43570 3/20 0.34
CA6 P23280 3/20 0.34
CA7 P43166 3/20 0.34
CA9 Q16790 3/20 0.34
CA14 Q9ULX7 3/20 0.34
CA5B Q9Y2D0 3/20 0.34
CA2 P00918 2/20 0.34
CA3 P07451 2/20 0.34
CA4 P22748 2/20 0.34
CA5A P35218 2/20 0.34
MAOB P27338 1/20 0.33
CHRM2 P08172 2/20 0.33
MEN1 O00255 1/20 0.32
RECQL P46063 1/20 0.32
KMT2A Q03164 1/20 0.32
LMNA P02545 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
CA1 P00915 1/20 0.31

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
SCHEMBL7999337 0.78 ALDH1A1 (0.42) MC4RMC5RCA12CA6CA7
SCHEMBL7999655 0.77 KCNK13 (0.33) MC4RMC5RCHRM2
SCHEMBL10864962 0.73 FERMT2 (0.39) MC4RMC5RCHRM2MEN1KMT2A
SCHEMBL7982134 0.71 MC4R (0.38) MC4RMC5RCA12CA6CA7
SCHEMBL7992772 0.70 CHRM2 (0.43) MC4RMC5RCHRM2CXCR4FERMT2
SCHEMBL5833046 0.69 MC4R (0.45) MC4RMC5RCHRM2CXCR4MC3R
SCHEMBL9777416 0.68 CXCR4 (0.51) MC4RMC5RCA12CA6CA7
SCHEMBL4725706 0.68 MC4R (0.51) MC4RMC5RCA12CA6CA7
SCHEMBL9938705 0.67 MAOA (0.38) CA9CA2MAOBCHRM2LMNA
SCHEMBL10483882 0.67 CHRM2 (0.40) MC4RMC5RCA12CA6CA7

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