SCHEMBL17145103

SCHEMBL17145103

COc1cccc(-c2cccnc2-c2cccc(OC)c2OC)c1OC

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
NPC1 O15118 3/20 0.48
RAB9A P51151 3/20 0.48
TP53 P04637 3/20 0.48
MAPT P10636 3/20 0.48
ALDH1A1 P00352 2/20 0.48
MGAM O43451 1/20 0.45
GAA P10253 1/20 0.45
SI P14410 1/20 0.45
MGAM2 Q2M2H8 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
LMNA P02545 1/20 0.44
PIK3CD O00329 1/20 0.43
ABL1 P00519 1/20 0.43
EGFR P00533 1/20 0.43
HCK P08631 1/20 0.43
SRC P12931 1/20 0.43
KDR P35968 1/20 0.43
PIK3CA P42336 1/20 0.43

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
SCHEMBL28410071 0.85 MGAM (0.49) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL15672918 0.81 MGAM (0.51) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL196440 0.81 MGAM (0.55) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL27526791 0.80 ALDH1A1 (0.56) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL6065171 0.78 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL16674078 0.77 CA1 (0.55) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL29496937 0.76 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL5463881 0.76 SMN1; SMN2 (0.66) SMN1; SMN2NPC1RAB9ATP53MAPT
SCHEMBL5702570 0.75 CA1 (0.50) SMN1; SMN2NPC1RAB9ATP53ALDH1A1
SCHEMBL29894839 0.75 CA1 (0.50) SMN1; SMN2NPC1RAB9ATP53ALDH1A1

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
WO-2015153252-A1 ANTI-VASCULATURE AND ANTI-TUBULIN COMBRETASTATIN ANALOGS FOR TREATMENT OF CANCER XAVIER UNIVERSITY OF LOUISIANA (US) 2015-10-08 WO claimed