SCHEMBL8543121

SCHEMBL8543121

O=S(=O)(Oc1cccc(NCCNc2ccncc2)c1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 16/20 0.61
ALDH1A1 P00352 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
FAAH O00519 1/20 0.43
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7332328 0.86 F2 (0.74) F2
SCHEMBL8543177 0.84 F2 (0.63) F2
SCHEMBL7335262 0.83 GRK2 (0.49) F2ALDH1A1FAAHMAPK1
SCHEMBL7324955 0.77 FAAH (0.50) ALDH1A1SMN1; SMN2FAAHMAPTMAPK1
SCHEMBL8547055 0.77 F2 (0.72) F2ALDH1A1SMN1; SMN2
SCHEMBL8541190 0.76 F2 (0.72) F2
SCHEMBL8543078 0.76 F2 (1.00) F2
SCHEMBL24842383 0.75 GAA (0.47) F2ALDH1A1SMN1; SMN2MAPTMAPK1
SCHEMBL7334463 0.75 LMNA (0.67) SMN1; SMN2MAPK1
SCHEMBL9479700 0.75 ALDH1A1 (0.51) ALDH1A1SMN1; SMN2FAAHMAPTMAPK1

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-0687253-B1 4-AMINOPYRIDINES, PROCESS FOR PREPARING THE SAME AND MEDICAMENTS CONTAINING THE SAME BOEHRINGER MANNHEIM GMBH (DE) 1998-12-16 EP disclosed