SCHEMBL2044477

SCHEMBL2044477

C1=CC(=NOCc2ccccc2)C=CC1=NOCc1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
NPC1 O15118 2/20 0.47
RAB9A P51151 2/20 0.47
IDO1 P14902 1/20 0.44
AGXT P21549 1/20 0.43
USP8 P40818 2/20 0.41
MAOA P21397 1/20 0.40
MAOB P27338 1/20 0.40
ALDH1A1 P00352 3/20 0.38
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38

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
SCHEMBL9898866 0.90 MAOA (0.50) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL2050023 0.78 NPC1 (0.45) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL2045062 0.76 NPC1 (0.59) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL2045918 0.76 NPC1 (0.59) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL16005783 0.75 TSHR (0.57) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL3255086 0.73 TSHR (0.55) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL19712360 0.72 NPC1 (0.56) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL2050061 0.72 RAB9A (0.47) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL2049581 0.72 USP8 (0.44) TSHRNPC1RAB9AIDO1AGXT
SCHEMBL2050063 0.72 RAB9A (0.47) TSHRNPC1RAB9AIDO1AGXT

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