SCHEMBL7993789

SCHEMBL7993789

COc1ccc(CNCCCS)cn1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.44
MAOA P21397 1/20 0.44
MAOB P27338 1/20 0.44
CHRM2 P08172 1/20 0.44
NAMPT P43490 1/20 0.41
CD274 Q9NZQ7 3/20 0.40
KDM4E B2RXH2 3/20 0.39
POLB P06746 1/20 0.39
SCN8A Q9UQD0 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
PIK3CA P42336 2/20 0.38
PIK3CD O00329 1/20 0.38
PIK3CB P42338 1/20 0.38
PIK3CG P48736 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL3265195 0.86 MEN1 (0.50) KDM1AMAOAMAOBCHRM2NAMPT
SCHEMBL10483960 0.85 MC4R (0.44) KDM1AMAOAMAOBCHRM2NAMPT
SCHEMBL10484172 0.84 KDM1A (0.46) KDM1AMAOAMAOBCHRM2NAMPT
SCHEMBL5008479 0.83 KDM1A (0.47) KDM1AMAOAMAOBCHRM2NAMPT
Hydrochloric Acid SCHEMBL5012101 0.81 KDM1A (0.46) KDM1AMAOAMAOBCHRM2NAMPT
SCHEMBL7995530 0.80 OPRM1 (0.53) CD274
SCHEMBL7999500 0.80 CXCR4 (0.40) MAOACHRM2POLBSCN8ACYP2C19
SCHEMBL7999060 0.80 CHRM2 (0.43) CHRM2NAMPTCD274KDM4ESCN8A
SCHEMBL6047215 0.79 KDM1A (0.49) KDM1AMAOAMAOBNAMPTKDM4E
SCHEMBL21591561 0.77 ALDH1A1 (0.51) CHRM2NAMPTKDM4EPIK3CACYP2C19

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