SCHEMBL30454566

SCHEMBL30454566

Nc1ncc(-c2ccc(OCCN3CCOCC3)cc2)cc1OCc1cccc2ccccc12

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 1/20 0.70
NPC1 O15118 1/20 0.51
RAB9A P51151 1/20 0.51
PRKAB1 Q9Y478 6/20 0.47
KDR P35968 4/20 0.47
ACVR1 Q04771 3/20 0.47
TGFBR1 P36897 2/20 0.47
SRC P12931 3/20 0.47
ABL1 P00519 1/20 0.47
TUBB4A P04350 1/20 0.47
TUBB P07437 1/20 0.47
LYN P07948 1/20 0.47
TUBA3C P0DPH7 1/20 0.47
BCR P11274 1/20 0.47
TUBA1B P68363 1/20 0.47
TUBA4A P68366 1/20 0.47
TUBB4B P68371 1/20 0.47
TUBB3 Q13509 1/20 0.47
TUBB2A Q13885 1/20 0.47
TUBB8 Q3ZCM7 1/20 0.47

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
SCHEMBL487791 1.00 MET (0.70) METNPC1RAB9APRKAB1KDR
SCHEMBL487711 0.83 MET (0.80) METNPC1RAB9APRKAB1KDR
SCHEMBL487596 0.83 MET (1.00) METNPC1RAB9APRKAB1KDR
SCHEMBL488559 0.78 MET (0.67) METNPC1RAB9APRKAB1KDR
SCHEMBL487977 0.78 MET (0.66) METNPC1RAB9APRKAB1KDR
SCHEMBL487598 0.77 MET (0.76) METNPC1RAB9APRKAB1KDR
SCHEMBL488770 0.75 MET (0.63) METNPC1RAB9APRKAB1KDR
SCHEMBL488229 0.75 MET (0.86) METNPC1RAB9AKDRACHE
SCHEMBL30453737 0.75 MET (0.86) METNPC1RAB9AKDRACHE
SCHEMBL7140786 0.72 LTA4H (0.62) BCHE

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
CN-113181362-B Medicament for preventing and/or treating amyotrophic lateral sclerosis 国立大学法人京都大学 2023-06-13 CN disclosed