SCHEMBL8678205

SCHEMBL8678205

O=[N+]([O-])c1ccc2c3c(ccc2c1)OC1(C=C3)Oc2ccccc2C=C1c1ccccc1[N+](=O)[O-]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 7/20 0.35
KMT2A Q03164 7/20 0.35
MAPT P10636 6/20 0.35
ALDH1A1 P00352 4/20 0.35
LMNA P02545 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
GLA P06280 1/20 0.35
GAA P10253 1/20 0.35
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
TLR2 O60603 1/20 0.33
TLR1 Q15399 1/20 0.33
C1R P00736 1/20 0.32
HTT P42858 1/20 0.31
PTPRC P08575 2/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL8685169 0.88 CYP19A1 (0.34) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8680293 0.79 CYP19A1 (0.36) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8680370 0.79 NPSR1 (0.32) MEN1KMT2AMAPTALDH1A1NPC1
SCHEMBL8682348 0.79 KMT2A (0.34) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8682558 0.77 PTGS1 (0.39) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8682553 0.75 MEN1 (0.36) MEN1KMT2AMAPTALDH1A1KDM4E
SCHEMBL8680536 0.75 ALDH1A1 (0.36) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8680029 0.75 MEN1 (0.33) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8679986 0.73 HTT (0.40) MEN1KMT2AMAPTALDH1A1LMNA
SCHEMBL8684835 0.73 MEN1 (0.43) MEN1KMT2AMAPTALDH1A1HPGD

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