SCHEMBL29786166

SCHEMBL29786166

NC(=NO)c1ccc2ccccc2c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 4/20 0.59
GRIN2B Q13224 4/20 0.59
F2 P00734 1/20 0.59
PLG P00747 1/20 0.59
PLAU P00749 1/20 0.59
KLKB1 P03952 1/20 0.59
KLK1 P06870 1/20 0.59
PRSS1 P07477 1/20 0.59
CES2 O00748 1/20 0.52
CES1 P23141 1/20 0.52
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 1/20 0.47
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
HSP90AA1 P07900 1/20 0.45

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
SCHEMBL103278 1.00 GRIN1 (0.59) GRIN1GRIN2BF2PLGPLAU
SCHEMBL7035626 1.00 GRIN1 (0.59) GRIN1GRIN2BF2PLGPLAU
SCHEMBL10802010 0.83 LCK (0.62) GRIN1GRIN2BF2PLGPLAU
SCHEMBL19411892 0.82 F12 (0.60) GRIN1GRIN2BNPC1RAB9ALMNA
SCHEMBL17666232 0.82 F12 (0.60) GRIN1GRIN2BNPC1RAB9ALMNA
SCHEMBL2055355 0.80 LMNA (0.45) GRIN1GRIN2BF2PLGPLAU
SCHEMBL2100967 0.80 LMNA (0.45) GRIN1GRIN2BF2PLGPLAU
SCHEMBL17988330 0.78 CES2 (0.56) GRIN1GRIN2BF2PLGPLAU
SCHEMBL23864974 0.77 KDM4E (0.56) GRIN1GRIN2BPLAUPRSS1RAB9A
SCHEMBL22373743 0.77 PLAU (0.61) GRIN1GRIN2BF2PLGPLAU

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119674190-A Organic-inorganic composite polymer solid electrolyte and preparation method and application thereof 山东创鲁先进电池科技有限公司 2025-03-21 CN claimed
CN-119674190-A Organic-inorganic composite polymer solid electrolyte and preparation method and application thereof 山东创鲁先进电池科技有限公司 2025-03-21 CN disclosed
CN-117813004-A Auxin herbicide and application method thereof 科迪华农业科技有限责任公司 2024-04-02 CN disclosed
WO-2022170075-A1 AUXINIC HERBICIDES AND METHODS OF USE THEREOF CORTEVA AGRISCIENCE LLC (US) 2022-08-11 WO disclosed