SCHEMBL5833308

SCHEMBL5833308

SCCCNCc1ccc(Cl)nc1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.50
GAA P10253 2/20 0.50
MAPT P10636 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
OXTR P30559 1/20 0.47
AVPR1A P37288 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
CHRM2 P08172 1/20 0.43
ALDH1A1 P00352 1/20 0.43
PLK1 P53350 1/20 0.43
KDM1A O60341 1/20 0.41
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
NLRP3 Q96P20 1/20 0.40
CXCR4 P61073 1/20 0.40

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
SCHEMBL5833071 0.90 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL1797036 0.86 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL1798367 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL7992477 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL6444346 0.83 KDM4E (0.60) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL501967 0.83 KDM4E (0.50) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL4854056 0.83 KDM4E (0.53) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL14044150 0.82 GAA (0.56) KDM4EGAAMAPTL3MBTL1OXTR
Hydrochloric Acid SCHEMBL7504260 0.82 OXTR (0.49) KDM4EGAAMAPTL3MBTL1OXTR
SCHEMBL7761434 0.82 KDM4E (0.65) KDM4EGAAMAPTL3MBTL1OXTR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE39140-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-20 US disclosed
US-RE39127-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US disclosed
US-RE39129-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US disclosed
US-RE39130-E1 Heterocyclic compounds BAYER CROPSCIENCE K.K. (JP) 2006-06-13 US disclosed
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
EP-0235725-B1 HETEROCYCLIC COMPOUNDS NIHON BAYER AGROCHEM K.K. (JP) 1991-11-21 EP disclosed
US-5001138-A Insecticides NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-03-19 US disclosed
US-4849432-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-07-18 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-0235725-A2 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1987-09-09 EP disclosed
EP-0192060-A1 Heterocyclic compounds NIHON BAYER AGROCHEM K.K. (JP) 1986-08-27 EP disclosed