SCHEMBL2045918

SCHEMBL2045918

c1ccc(CON=C2CC(=NOCc3ccccc3)CC(=NOCc3ccccc3)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.59
RAB9A P51151 1/20 0.59
TSHR P16473 2/20 0.46
IDO1 P14902 1/20 0.43
AGXT P21549 1/20 0.41
HSD11B1 P28845 1/20 0.41
USP8 P40818 2/20 0.40
ALDH1A1 P00352 2/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA9 Q16790 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
CYP2C19 P33261 1/20 0.36
PTGS2 P35354 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL9898962 0.91 NPC1 (0.51) NPC1RAB9ATSHRIDO1AGXT
SCHEMBL9898960 0.91 NPC1 (0.51) NPC1RAB9ATSHRIDO1AGXT
SCHEMBL2045056 0.88 RAB9A (0.53) NPC1RAB9ATSHRIDO1AGXT
SCHEMBL2045054 0.88 RAB9A (0.53) NPC1RAB9ATSHRIDO1AGXT
SCHEMBL2045062 0.87 NPC1 (0.59) NPC1RAB9ATSHRIDO1AGXT
SCHEMBL9898749 0.87 NPC1 (0.51) NPC1RAB9ATSHRIDO1AGXT
SCHEMBL2047074 0.84 NPC1 (0.53) NPC1RAB9ATSHRIDO1HSD11B1
SCHEMBL2047071 0.84 NPC1 (0.53) NPC1RAB9ATSHRIDO1HSD11B1
SCHEMBL19712360 0.83 NPC1 (0.56) NPC1RAB9ATSHRIDO1AGXT
SCHEMBL7373187 0.83 RAB9A (0.56) NPC1RAB9ATSHRIDO1AGXT

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8338544-B2 Polymers functionalized with polyoxime compounds and methods for their manufacture BRIDGESTONE CORPORATION (JP) 2012-12-25 US claimed
EP-2516475-A1 POLYMERS FUNCTIONALIZED WITH POLYOXIME COMPOUNDS AND METHODS FOR THEIR MANUFACTURE Bridgestone Corporation (JP) 2012-10-31 EP claimed
US-20110152449-A1 POLYMERS FUNCTIONALIZED WITH POLYOXIME COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BRIDGESTONE CORPORATION (JP) 2011-06-23 US claimed
US-8338544-B2 Polymers functionalized with polyoxime compounds and methods for their manufacture BRIDGESTONE CORPORATION (JP) 2012-12-25 US disclosed
EP-2516475-A1 POLYMERS FUNCTIONALIZED WITH POLYOXIME COMPOUNDS AND METHODS FOR THEIR MANUFACTURE Bridgestone Corporation (JP) 2012-10-31 EP disclosed
US-20110152449-A1 POLYMERS FUNCTIONALIZED WITH POLYOXIME COMPOUNDS AND METHODS FOR THEIR MANUFACTURE BRIDGESTONE CORPORATION (JP) 2011-06-23 US disclosed