SCHEMBL7993682

SCHEMBL7993682

O=Cc1ccc(SC(F)(F)Cl)nc1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.35
KCNJ1 P48048 1/20 0.35
HSD17B10 Q99714 1/20 0.33
CASP6 P55212 1/20 0.32
KIF11 P52732 1/20 0.30
RAB9A P51151 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
SCHEMBL7992496 0.87 ALDH1A1 (0.39) ALDH1A1L3MBTL1POLBKDM4EKCNJ1
SCHEMBL2800270 0.73 ALDH1A1 (0.48) ALDH1A1L3MBTL1POLBKDM4EKCNJ1
SCHEMBL29594609 0.73 ALDH1A1 (0.48) ALDH1A1L3MBTL1POLBKDM4EKCNJ1
SCHEMBL7996330 0.73 TKT (0.30)
SCHEMBL7996261 0.71 ALDH1A1 (0.40) ALDH1A1L3MBTL1POLBKDM4EKCNJ1
SCHEMBL30557603 0.70 KDM4E (0.40) ALDH1A1L3MBTL1POLBKDM4EKCNJ1
SCHEMBL3926634 0.70 HSD17B10 (0.50) ALDH1A1L3MBTL1KDM4EHSD17B10
SCHEMBL29417132 0.69 TRPV4 (0.52) ALDH1A1L3MBTL1POLBKDM4EKCNJ1
SCHEMBL336320 0.69 TRPV4 (0.52) ALDH1A1L3MBTL1POLBKDM4EKCNJ1
SCHEMBL31026927 0.69 EGFR (0.36) ALDH1A1L3MBTL1POLBKDM4EKCNJ1

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-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