SCHEMBL8622668

SCHEMBL8622668

O=C(O)C(=NO)C(c1ccc(OCc2nc3ccccc3s2)cc1)c1ccc(OCc2nc3ccccc3s2)cc1.[Na]

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 6/20 0.58
RAB9A P51151 5/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 1/20 0.58
L3MBTL1 Q9Y468 1/20 0.58
ALOX5 P09917 10/20 0.57
EPHX2 P34913 7/20 0.57
KMT2A Q03164 3/20 0.54
ALDH1A1 P00352 2/20 0.53
MAPT P10636 2/20 0.53
MEN1 O00255 1/20 0.53
KDM4E B2RXH2 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALOX5AP P20292 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46

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
SCHEMBL8626737 0.99 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL8626714 0.99 NPC1 (0.60) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL8622647 0.98 NPC1 (0.58) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL9428043 0.84 NPC1 (0.67) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL8556876 0.79 ALOX5 (0.56) NPC1RAB9AMAPK1L3MBTL1ALOX5
SCHEMBL8556884 0.79 ALOX5 (0.56) NPC1RAB9AMAPK1L3MBTL1ALOX5
SCHEMBL8901453 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL8901437 0.78 NPC1 (0.61) NPC1RAB9ASMN1; SMN2MAPK1L3MBTL1
SCHEMBL8555104 0.78 GPBAR1 (0.60) ALOX5
SCHEMBL8557021 0.78 ALOX5 (0.52) 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