SCHEMBL7995724

SCHEMBL7995724

CN(C)C(=O)c1ncc(CCl)s1

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.35
▸ PDK1 Q15118 1/20 0.33
▸ PDK2 Q15119 1/20 0.33
▸ PDK3 Q15120 1/20 0.33
▸ PDK4 Q16654 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ HSD17B1 P14061 1/20 0.31
▸ HSD17B2 P37059 1/20 0.31
▸ HDAC3 O15379 1/20 0.31
▸ HDAC4 P56524 1/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ OGA O60502 1/20 0.31
▸ KDM4E B2RXH2 1/20 0.31
▸ SMYD3 Q9H7B4 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
SCHEMBL7996248 0.76 SIRT6 (0.34) ALDH1A1L3MBTL1SMN1; SMN2HTTRAB9A
SCHEMBL7999309 0.75 SMYD3 (0.38) L3MBTL1RAB9AKMT2AHDAC6SMYD3
SCHEMBL2629374 0.73 NOS1 (0.40) SMN1; SMN2RAB9AKMT2AHSD17B1HSD17B2
SCHEMBL12184428 0.72 SMN1; SMN2 (0.45) ALDH1A1L3MBTL1SMN1; SMN2HTTKMT2A
SCHEMBL21369613 0.72 OGA (0.42) ALDH1A1L3MBTL1SMN1; SMN2HTTRAB9A
SCHEMBL3339285 0.72 PIK3CD (0.35) ALDH1A1PDK1PDK2PDK3PDK4
SCHEMBL31335645 0.70 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2RAB9AHSD17B1HSD17B2
SCHEMBL7999475 0.69 KMT2A (0.33) ALDH1A1KMT2A
SCHEMBL24127269 0.69 CYP1A2 (0.37) ALDH1A1SMN1; SMN2RAB9AHSD17B1HSD17B2
SCHEMBL16742553 0.69 ALDH1A1 (0.42) ALDH1A1KMT2AHSD17B1HSD17B2OGA

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
Send feedback