SCHEMBL11079638

SCHEMBL11079638

CCc1ccc(N(C(=N)N)c2ccc(CC)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.45
PLAU P00749 1/20 0.44
TAAR1 Q96RJ0 1/20 0.40
LPL P06858 1/20 0.39
LIPG Q9Y5X9 1/20 0.39
ALDH1A1 P00352 1/20 0.38
NQO2 P16083 1/20 0.37
GRIN2D O15399 2/20 0.37
GRIN3B O60391 2/20 0.37
GRIN1 Q05586 2/20 0.37
GRIN2A Q12879 2/20 0.37
GRIN2B Q13224 2/20 0.37
GRIN2C Q14957 2/20 0.37
GRIN3A Q8TCU5 2/20 0.37
SIGMAR1 Q99720 1/20 0.37
CA2 P00918 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL8417727 0.81 CA2 (0.46) SMN1; SMN2LPLLIPGALDH1A1GRIN2D
SCHEMBL1955059 0.79 ALDH1A1 (0.47) IDO1SMN1; SMN2PLAUTAAR1LPL
SCHEMBL8417752 0.79 ESR1 (0.48) IDO1TAAR1GRIN2DGRIN3BGRIN1
SCHEMBL5556091 0.77 SIGMAR1 (0.51) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL158673 0.76 ALDH1A1 (0.44) IDO1PLAUALDH1A1
Hydrochloric Acid SCHEMBL5809829 0.74 IDO1 (0.44) IDO1PLAUALDH1A1GRIN2DGRIN3B
SCHEMBL10788687 0.72 ALDH1A1 (0.54) SMN1; SMN2LPLLIPGALDH1A1
SCHEMBL8767493 0.72 IDO1 (0.41) IDO1SMN1; SMN2PLAUALDH1A1GRIN2D
SCHEMBL3896543 0.71 LPL (0.52) SMN1; SMN2PLAUTAAR1LPLLIPG
SCHEMBL12304289 0.71 LPL (0.52) SMN1; SMN2PLAUTAAR1LPLLIPG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0125363-A1 Process for producing N-phosphonomethylglycine acid Geshuri Laboratories Ltd. (IL) 1984-11-21 EP disclosed