SCHEMBL7992276

SCHEMBL7992276

N#Cc1cnc(CNCCCN)cn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 14/20 0.48
KCNH2 Q12809 4/20 0.33
CHEK2 O96017 2/20 0.33
MC4R P32245 1/20 0.33
MC5R P33032 1/20 0.33
MC3R P41968 1/20 0.33
CASP2 P42575 2/20 0.32
MEN1 O00255 1/20 0.32
CA12 O43570 1/20 0.32
F13A1 P00488 1/20 0.32
CA2 P00918 1/20 0.32
CYP1A2 P05177 1/20 0.32
ALOX15 P16050 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CYP2C19 P33261 1/20 0.32
CA5A P35218 1/20 0.32
THPO P40225 1/20 0.32
CA7 P43166 1/20 0.32
RECQL P46063 1/20 0.32

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
SCHEMBL9840551 0.77 MC4R (0.44) CHEK1MC4RMC5RMC3RTLR7
SCHEMBL7992424 0.71 SIRT6 (0.36) MC4RMC5RMEN1CA12CA2
SCHEMBL7992498 0.70 CHEK1 (0.42) CHEK1MC4RMC5RMC3R
SCHEMBL5884618 0.69 TLR7 (0.36) MEN1CYP1A2ALOX15CYP2C19KMT2A
SCHEMBL5833062 0.68 CYP1A2 (0.38) MEN1CYP1A2ALOX15CYP2C19KMT2A
SCHEMBL10483882 0.68 CHRM2 (0.40) MC4RMC5RMC3RCASP2MEN1
SCHEMBL10483888 0.68 IL6 (0.41) MC4RMC5RMC3RTLR7MAOB
SCHEMBL10483877 0.68 MAOB (0.43) MC4RMC5RMC3RMAOB
Ethylenediamine SCHEMBL5884629 0.67 TLR7 (0.39) MEN1CYP1A2ALOX15CYP2C19KMT2A
SCHEMBL22489552 0.67 CHEK1 (0.71) CHEK1KCNH2CHEK2NUAK1RPS6KB1

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