SCHEMBL7999218

SCHEMBL7999218

N=C1NCCN1Cc1ccc(Br)nc1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
CHRNA1 P02708 2/20 0.40
CHRNA7 P36544 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CHRNB2 P17787 3/20 0.40
CHRNA4 P43681 3/20 0.40
TRPV6 Q9H1D0 1/20 0.39
GRM2 Q14416 1/20 0.38
CHRNA3 P32297 1/20 0.38
POLB P06746 1/20 0.36

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
Desnitroimidacloprid SCHEMBL6829628 0.82 SMN1; SMN2 (0.61) SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNB2
SCHEMBL7981584 0.82 CHRM1 (0.43) SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3
SCHEMBL7992725 0.82 CYP11B1 (0.47) CYP11B1SMN1; SMN2CHRNA1CHRNA7ALDH1A1
SCHEMBL7981799 0.81 CYP11B1 (0.43) CYP11B1SMN1; SMN2CHRNA1CHRNA7ALDH1A1
Desnitroimidacloprid SCHEMBL10465062 0.81 SMN1; SMN2 (0.60) SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNB2
Desnitroimidacloprid SCHEMBL8637512 0.81 SMN1; SMN2 (0.60) SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNB2
SCHEMBL14565388 0.79 SMN1; SMN2 (0.41) SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNB2
SCHEMBL24709604 0.79 ALDH1A1 (0.45) CYP11B1SMN1; SMN2ALDH1A1POLB
SCHEMBL7992421 0.78 ALDH1A1 (0.43) SMN1; SMN2CHRNA1CHRNA7ALDH1A1CHRNA3
Bromide SCHEMBL31141403 0.78 ALDH1A1 (0.44) CYP11B1SMN1; SMN2ALDH1A1POLB

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