SCHEMBL9869049

SCHEMBL9869049

O=[N+]([O-])Nc1ncc(Cl)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.39
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
MAPT P10636 3/20 0.33
ALDH1A1 P00352 3/20 0.33
GAA P10253 2/20 0.33
AHR P35869 1/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 2/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
NPC1 O15118 1/20 0.32
TSHR P16473 1/20 0.31
CGAS Q8N884 1/20 0.31
STK17A Q9UEE5 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
STAT3 P40763 1/20 0.30
GSK3B P49841 1/20 0.30
NFE2L2 Q16236 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
SCHEMBL4585963 0.75 KDM4E (0.39) MAPK1ALDH1A1GAAKDM4ELMNA
SCHEMBL9870200 0.74 L3MBTL1 (0.52) MAPTALDH1A1GAAAHRKDM4E
SCHEMBL7196085 0.68
SCHEMBL17967795 0.65 MAPT (0.38) MAPK1CHRNB2CHRNA4MAPTALDH1A1
SCHEMBL11433888 0.65 HCAR2 (0.37) MAPK1CHRNB2CHRNA4MAPTALDH1A1
SCHEMBL1897762 0.64 GRM4 (0.38) MAPK1CHRNB2CHRNA4MAPTALDH1A1
SCHEMBL6313709 0.64 CHRNB2 (0.38) MAPK1CHRNB2CHRNA4MAPTALDH1A1
SCHEMBL13485374 0.64
SCHEMBL15360097 0.64
SCHEMBL7078201 0.64 MAPT (0.49) MAPK1MAPTALDH1A1GAALMNA

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-4988712-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO, K.K. (JP) 1991-01-29 US disclosed
US-4882344-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-11-21 US disclosed
US-4803277-A INSECTICIDES NIHON TOKUSHU NOYAKU SEIZO K.K. (JP) 1989-02-07 US disclosed