SCHEMBL9408573

SCHEMBL9408573

O=[N+]([O-])C=C1NCCCN1Cc1ccc(Br)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.69
CHRNA3 P32297 1/20 0.69
CHRNA7 P36544 1/20 0.69
SMN1; SMN2 Q16637 4/20 0.60
ALDH1A1 P00352 5/20 0.38
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 1/20 0.38
KDM4E B2RXH2 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPK1 P28482 1/20 0.36
POLB P06746 1/20 0.35
CXCR3 P49682 1/20 0.34
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.34
RECQL P46063 1/20 0.34
RAB9A P51151 1/20 0.34
TNIK Q9UKE5 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 2/20 0.33
HDAC8 Q9BY41 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
SCHEMBL28398560 0.93 SMN1; SMN2 (0.67) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL9408699 0.88 CHRNA1 (0.74) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL10684318 0.88 CHRNA1 (0.74) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL10875542 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL10873962 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL10876966 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL9408586 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL10873855 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL10873483 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL9408645 0.87 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4590272-A INSECTICIDES, MITICIDES, NEMATOCIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-05-20 US claimed
EP-0136636-A2 Nitromethylene-tetrahydropyrimidine derivatives, process for their preparation and insecticidal, miticidal, tickicidal, and nematicidal means NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1985-04-10 EP claimed
EP-0623601-A1 N-(3-Fluorobenzyl)heterocyclic derivatives and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-11-09 EP disclosed