SCHEMBL5153669

SCHEMBL5153669

COc1c(C(=O)O)ccc([N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.55
TSHR P16473 4/20 0.49
TPMT P51580 1/20 0.48
AKR1C3 P42330 4/20 0.45
AKR1C2 P52895 4/20 0.45
AKR1B10 O60218 1/20 0.45
AKR1B1 P15121 1/20 0.45
AKR1C4 P17516 1/20 0.45
AKR1C1 Q04828 1/20 0.45
DTYMK P23919 1/20 0.44
TDP1 Q9NUW8 3/20 0.42
MAPT P10636 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CASP6 P55212 1/20 0.41
ALDH1A1 P00352 1/20 0.41
ABCB1 P08183 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
CTDSP1 Q9GZU7 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41

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
SCHEMBL10766611 0.87 TSHR (0.51) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL7847617 0.85 PKM (0.65) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL29046043 0.84 PKM (0.55) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL20741517 0.84 TSHR (0.61) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL28003672 0.84 DTYMK (0.44) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL12565695 0.84 TPMT (0.51) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL4298104 0.83 PKM (0.54) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL27468828 0.83 PKM (0.54) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL19601397 0.82 TSHR (0.44) PKMTSHRTPMTAKR1C3AKR1C2
SCHEMBL10619775 0.81 HPSE (0.50) PKMTSHRAKR1C3AKR1C2AKR1B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7189739-B2 Compounds and methods to treat cardiac failure and other disorders SCIOS, INC. (US) 2007-03-13 US disclosed
EP-1165151-B1 INDICATORS FOR MONITORING STERILIZATION WITH PLASMA PATEL GORDHANBHAI N (US) 2007-01-03 EP disclosed
EP-1281080-A4 COLOR CHANGING STEAM STERILIZATION INDICATOR JP LAB INC (US) 2006-03-22 EP disclosed
EP-1080078-B1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC (US) 2006-02-01 EP disclosed
US-20030211618-A1 Color changing steam sterilization indicator JP LABORATORIES, INC. 2003-11-13 US disclosed
US-6589954-B1 Indoles, benzimidazoles and benztriazoles which are substituted at the 5 or 6 position with a substituent comprising an aromatic moiety linked through a piperazine ring to said indole, benzimidazole or benztriazole are useful SCIOS, INC. 2003-07-08 US disclosed
EP-1281080-A1 COLOR CHANGING STEAM STERILIZATION INDICATOR JP LABORATORIES, INC. (US) 2003-02-05 EP disclosed
EP-1165151-A1 INDICATORS FOR MONITORING STERILIZATION WITH PLASMA Patel, Gordhanbhai N. (US) 2002-01-02 EP disclosed
WO-2001086289-A1 COLOR CHANGING STEAM STERILIZATION INDICATOR JP LABORATORIES, INC. (US) 2001-11-15 WO disclosed
EP-1080078-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 2001-03-07 EP disclosed
WO-2000061200-A1 INDICATORS FOR MONITORING STERILIZATION WITH PLASMA PATEL GORDHANBHAI N (US) 2000-10-19 WO disclosed
WO-1999061426-A1 HETEROCYCLIC COMPOUNDS AND METHODS TO TREAT CARDIAC FAILURE AND OTHER DISORDERS SCIOS INC. (US) 1999-12-02 WO disclosed