SCHEMBL7993517

SCHEMBL7993517

CC(C)NCCNCc1ccc(F)nc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CXCR4 P61073 1/20 0.38
HDAC1 Q13547 3/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
CHRM2 P08172 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
CD274 Q9NZQ7 2/20 0.33
PDCD1 Q15116 1/20 0.33

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
SCHEMBL13428822 0.85 CD274 (0.41) CYP11B1CYP11B2CYP3A4CYP2D6CYP2C19
SCHEMBL5833046 0.77 MC4R (0.45) CXCR4HDAC1CYP11B1CYP11B2CHRM2
SCHEMBL7981951 0.77 CXCR4 (0.38) CXCR4HDAC1CYP11B1CYP11B2CHRM2
SCHEMBL10246359 0.76 LMNA (0.41) HDAC1CYP11B1CYP11B2L3MBTL1CYP3A4
SCHEMBL5884684 0.74 MC4R (0.42) CXCR4HDAC1CYP11B1CYP11B2CHRM2
SCHEMBL7996321 0.74 CHRM2 (0.43) CXCR4HDAC1CYP11B1CYP11B2CHRM2
SCHEMBL10483999 0.74 MC4R (0.47) CXCR4HDAC1CYP11B1CYP11B2CHRM2
SCHEMBL6348675 0.72 CYP11B1 (0.42) HDAC1CYP11B1CYP11B2CYP3A4CYP2D6
SCHEMBL16250565 0.71 CYP1A2 (0.46) HDAC1CYP3A4CYP2D6CYP2C19
SCHEMBL4917425 0.71 MEN1 (0.68) HDAC1CHRM2CYP3A4

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