SCHEMBL9869877

SCHEMBL9869877

O=[N+]([O-])Nc1cccnn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GOT1 P17174 1/20 0.50
P2RX7 Q99572 1/20 0.35
FFAR2 O15552 1/20 0.34
SIRT2 Q8IXJ6 1/20 0.33
HTT P42858 1/20 0.33
NOD2 Q9HC29 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 2/20 0.32
NPC1 O15118 2/20 0.32
GAA P10253 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MITF O75030 1/20 0.32
RAB9A P51151 1/20 0.32
FPR2 P25090 1/20 0.32
JAK2 O60674 1/20 0.31
JAK1 P23458 1/20 0.31
TYK2 P29597 1/20 0.31
PDE10A Q9Y233 1/20 0.31
MEN1 O00255 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
SCHEMBL2413590 0.73 NPC1 (0.50) HTTNOD2ALDH1A1LMNAMAPT
SCHEMBL31011779 0.73 NPC1 (0.50) HTTNOD2ALDH1A1LMNAMAPT
SCHEMBL29163817 0.71 GOT1 (0.65) GOT1P2RX7FFAR2SIRT2FPR2
SCHEMBL3090920 0.68
SCHEMBL30893842 0.68 GOT1 (0.50) GOT1P2RX7FFAR2SIRT2JAK2
SCHEMBL9869630 0.68 MAPT (0.36) ALDH1A1MAPTGAAKDM4E
SCHEMBL9870304 0.68 MAPT (0.50) HTTALDH1A1LMNAMAPTNPC1
SCHEMBL4543506 0.68 CTDSP1 (0.34) P2RX7ALDH1A1MAPTKDM4EMEN1
SCHEMBL697154 0.67
SCHEMBL84649 0.67

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