SCHEMBL8680391

SCHEMBL8680391

O=[N+]([O-])c1cccc2c3c(ccc12)OC1(C=C3)C=Cc2c(ccc3c([N+](=O)[O-])cccc23)O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.51
ALDH1A1 P00352 8/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NCOA1 Q15788 1/20 0.41
NCOA3 Q9Y6Q9 1/20 0.41
KMT2A Q03164 5/20 0.38
MEN1 O00255 4/20 0.38
GAA P10253 2/20 0.38
KDM4E B2RXH2 2/20 0.38
POLB P06746 2/20 0.38
PNMT P11086 1/20 0.37
CTSB P07858 1/20 0.37
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
CYP3A4 P08684 2/20 0.35
ALOX15 P16050 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL8680122 0.80 ALDH1A1 (0.39) TDP1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL8680130 0.77 TDP1 (0.51) TDP1ALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL8680016 0.75 MAPT (0.50) TDP1ALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL8685167 0.73 ALDH1A1 (0.34) TDP1ALDH1A1KMT2AMEN1GAA
SCHEMBL57166 0.72 TDP1 (1.00) TDP1ALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL29475175 0.72 TDP1 (1.00) TDP1ALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL8680039 0.70 LMNA (0.38) TDP1ALDH1A1SMN1; SMN2KMT2AMEN1
SCHEMBL2934863 0.70 TDP1 (0.64) TDP1ALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL28093598 0.70 TDP1 (0.95) TDP1ALDH1A1SMN1; SMN2NCOA1NCOA3
SCHEMBL5309484 0.68 NPC1 (0.40) TDP1ALDH1A1KMT2AMEN1GAA

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-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US claimed
US-5759729-A A DRY TONER COMPRISING A RESIN, PHOTOCHROMATIC SPIROPYRAN, -OXAZINE OR -THIOPYRAN DYE AND A CHARGE CONTROL AGENT;ELECTROGRAPHY; XEROGRAPHY XEROX CORPORATION (US) 1998-06-02 US disclosed
US-5710420-A Method for embedding and recovering machine-readable information XEROX CORPORATION (US) 1998-01-20 US disclosed
US-5633109-A Ink compositions with liposomes containing photochromic compounds XEROX CORPORATION (US) 1997-05-27 US disclosed
US-5593486-A Photochromic hot melt ink compositions XEROX CORPORATION (US) 1997-01-14 US disclosed
US-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed