SCHEMBL8680450

SCHEMBL8680450

O=[N+]([O-])c1cccc2ccc3c(c12)OC1(C=C3)C=Cc2ccc3cccc([N+](=O)[O-])c3c2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
TYMS P04818 1/20 0.38
TDP1 Q9NUW8 3/20 0.36
TSHR P16473 3/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
MAPT P10636 2/20 0.36
KMT2A Q03164 2/20 0.36
APEX1 P27695 2/20 0.36
NOS1 P29475 2/20 0.36
NOS2 P35228 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
NOS3 P29474 1/20 0.36
RECQL P46063 1/20 0.36
BLM P54132 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
SCHEMBL8680122 0.79 ALDH1A1 (0.39) ALDH1A1TYMSTDP1TSHRKDM4E
SCHEMBL8680130 0.79 TDP1 (0.51) ALDH1A1TDP1KDM4EMEN1MAPT
SCHEMBL8681104 0.74 TSHR (0.38) ALDH1A1TDP1TSHRKDM4EMEN1
SCHEMBL2927803 0.71 ALDH1A1 (0.46) ALDH1A1TYMSTDP1TSHRKDM4E
SCHEMBL8680232 0.71 ALDH1A1 (0.40) ALDH1A1TDP1KDM4EMEN1MAPT
SCHEMBL29626558 0.71 ALDH1A1 (0.61) ALDH1A1TYMSTDP1TSHRKDM4E
SCHEMBL187697 0.71 ALDH1A1 (0.61) ALDH1A1TYMSTDP1TSHRKDM4E
SCHEMBL8680670 0.69 MAPT (0.36) ALDH1A1TDP1TSHRMEN1MAPT
Pyrene SCHEMBL27684019 0.68 ALDH1A1 (0.63) ALDH1A1TYMSTDP1TSHRKDM4E
SCHEMBL8681014 0.67 ALDH1A1 (0.39) ALDH1A1TDP1TSHRKDM4EMEN1

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