SCHEMBL8622657

SCHEMBL8622657

O=C(O)C=NOC(c1ccc(OCc2nc3ccccc3s2)cc1)c1ccc(OCc2nc3ccccc3s2)cc1.[NaH]

nearest known ligand 0.71

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 15/20 0.71
NPC1 O15118 4/20 0.56
RAB9A P51151 3/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
MAPK1 P28482 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
EPHX2 P34913 5/20 0.55
KMT2A Q03164 2/20 0.52
ALDH1A1 P00352 2/20 0.51
MAPT P10636 2/20 0.51
MEN1 O00255 1/20 0.51
KDM4E B2RXH2 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL8626723 0.99 ALOX5 (0.72) ALOX5NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL8901448 0.82 ALOX5 (0.61) ALOX5NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL8556881 0.80 ALOX5 (0.72) ALOX5
SCHEMBL8555093 0.79 ALOX5 (0.71) ALOX5
SCHEMBL8557217 0.79 ALOX5 (0.60) ALOX5MAPT
SCHEMBL9428043 0.78 NPC1 (0.67) ALOX5NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL8555241 0.78 ALOX5 (0.72) ALOX5
SCHEMBL8555945 0.77 ALOX5 (0.53) ALOX5
SCHEMBL8622647 0.77 NPC1 (0.58) ALOX5NPC1RAB9ASMN1; SMN2MAPK1
SCHEMBL8559593 0.76 ALOX5 (0.72) ALOX5

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
US-5714488-A FOR TREATMENT OF ALLERGIC AND INFLAMMATORY DISEASE STATES ABBOTT LABORATORIES (US) 1998-02-03 US disclosed