SCHEMBL7992302

SCHEMBL7992302

C#CCc1ccc(C=O)cn1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.37
KDM4E B2RXH2 5/20 0.37
L3MBTL1 Q9Y468 3/20 0.37
KCNJ1 P48048 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.33
CYP2A6 P11509 1/20 0.31
POLB P06746 1/20 0.31
HSD17B10 Q99714 1/20 0.31
ALDH5A1 P51649 1/20 0.31
ABAT P80404 1/20 0.31
LMNA P02545 1/20 0.31
ALDH3A1 P30838 1/20 0.31
ALDH1A3 P47895 1/20 0.31
DRD2 P14416 1/20 0.30
DRD1 P21728 1/20 0.30
DRD4 P21917 1/20 0.30
DRD5 P21918 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL15837011 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL29957343 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL31708221 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL18160983 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL12464106 0.74 ALDH1A1 (0.43) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL31073295 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL7999255 0.74 KDM4E (0.43) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL29952238 0.74 KDM4E (0.43) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL29954302 0.74 ALDH1A1 (0.40) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2
SCHEMBL3169489 0.72 ALDH1A1 (0.39) ALDH1A1KDM4EL3MBTL1KCNJ1SMN1; SMN2

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 11 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-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