SCHEMBL29575625

SCHEMBL29575625

NCc1cccc(CN)c1.[N]

nearest known ligand 0.67

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LOXL2 Q9Y4K0 5/20 0.67
PNMT P11086 1/20 0.64
ENPP2 Q13822 1/20 0.64
PRMT6 Q96LA8 1/20 0.56
NOS1 P29475 6/20 0.54
NOS2 P35228 6/20 0.54
NOS3 P29474 4/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
CYP3A4 P08684 1/20 0.54
NFKB1 P19838 1/20 0.54
HRH3 Q9Y5N1 1/20 0.50
NCF1 P14598 1/20 0.50
TAAR1 Q96RJ0 1/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
ABAT P80404 1/20 0.46

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
SCHEMBL36008 0.97 LOXL2 (0.71) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL10422276 0.97 LOXL2 (0.71) LOXL2PNMTENPP2PRMT6NOS1
Bromide SCHEMBL29013587 0.94 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
Iodide SCHEMBL29198612 0.94 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
Bromide SCHEMBL28362115 0.94 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
Hydrochloric Acid SCHEMBL6018896 0.94 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL7883952 0.94 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
Ammonia Solution, Strong SCHEMBL6899866 0.94 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
Hydrochloric Acid SCHEMBL8195914 0.94 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1
SCHEMBL29013584 0.94 LOXL2 (0.67) LOXL2PNMTENPP2PRMT6NOS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114585701-B System and method for improving lap shear strength and displacement of two-component structural adhesives PPG工业俄亥俄公司 2024-04-09 CN disclosed
CN-114585701-A System and method for improving lap shear strength and displacement of two-part structural adhesives PPG工业俄亥俄公司 2022-06-03 CN disclosed