SCHEMBL9408699

SCHEMBL9408699

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

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA1 P02708 1/20 0.74
CHRNA3 P32297 1/20 0.74
CHRNA7 P36544 1/20 0.74
SMN1; SMN2 Q16637 3/20 0.65
CHRNB2 P17787 1/20 0.41
CHRNA4 P43681 1/20 0.41
ALDH1A1 P00352 7/20 0.39
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MAPT P10636 4/20 0.36
ALOX12 P18054 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
POLB P06746 2/20 0.35
CYP1A2 P05177 1/20 0.35

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
SCHEMBL10684318 1.00 CHRNA1 (0.74) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2
SCHEMBL9408584 0.93 SMN1; SMN2 (0.73) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2
SCHEMBL9408589 0.93 SMN1; SMN2 (0.73) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2
SCHEMBL9408573 0.88 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2
SCHEMBL10875542 0.88 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2ALDH1A1
SCHEMBL10873483 0.88 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2
SCHEMBL10873962 0.88 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2
SCHEMBL10876966 0.88 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2
SCHEMBL9408586 0.88 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2
SCHEMBL10873855 0.88 CHRNA1 (0.69) CHRNA1CHRNA3CHRNA7SMN1; SMN2CHRNB2

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 8 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
JP-60078971-A None JP disclosed
EP-0623601-A1 N-(3-Fluorobenzyl)heterocyclic derivatives and their use as pesticides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1994-11-09 EP disclosed
US-4758570-A Pesticidal nitromethylene derivatives E. I. DUPONT DE NEMOURS AND COMPANY (US) 1988-07-19 US disclosed
US-4590272-A INSECTICIDES, MITICIDES, NEMATOCIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1986-05-20 US disclosed
JP-S6078971-A NITROMETHYLENE-TETRAHYDROPYRIMIDINE DERIVATIVE, PRODUCTION THEREOF AND INSECTICIDE, ACARICIDE AND NEMATOCIDE NIPPON TOKUSHU NOYAKU SEIZO KK 1985-05-04 JP disclosed
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 disclosed