SCHEMBL7999060

SCHEMBL7999060

Cc1ccc(CNCCCS)cn1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 4/20 0.43
SCN8A Q9UQD0 3/20 0.43
KDM4E B2RXH2 1/20 0.41
GAA P10253 1/20 0.41
CXCR4 P61073 1/20 0.40
HRH4 Q9H3N8 1/20 0.39
HRH3 Q9Y5N1 1/20 0.39
NAMPT P43490 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
PDCD1 Q15116 1/20 0.37
CD274 Q9NZQ7 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
PDE10A Q9Y233 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
SCHEMBL7981959 0.90 GAA (0.43) CHRM2SCN8AKDM4EGAACXCR4
SCHEMBL28103835 0.83 HRH4 (0.59) CHRM2SCN8AKDM4EHRH4HRH3
SCHEMBL10483919 0.83 MC4R (0.47) CHRM2SCN8AKDM4EGAACXCR4
SCHEMBL5833866 0.83 MC4R (0.45) CHRM2SCN8AKDM4EGAACXCR4
SCHEMBL14747536 0.81 GAA (0.44) CHRM2SCN8AGAAHRH4HRH3
SCHEMBL7996321 0.80 CHRM2 (0.43) CHRM2SCN8ACXCR4HRH4HRH3
SCHEMBL7999500 0.80 CXCR4 (0.40) CHRM2SCN8ACXCR4HRH4HRH3
SCHEMBL5884099 0.80 MC4R (0.42) CHRM2SCN8AKDM4EGAACXCR4
SCHEMBL5833308 0.80 KDM4E (0.50) CHRM2KDM4EGAACXCR4SMN1; SMN2
SCHEMBL7993789 0.80 KDM1A (0.44) CHRM2SCN8AKDM4ENAMPTMEN1

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 10 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-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