SCHEMBL8680695

SCHEMBL8680695

O=[N+]([O-])c1ccc2ccc3c(c2c1)OC1(C=C3)C=Cc2ccc3ccc([N+](=O)[O-])cc3c2O1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
NPC1 O15118 1/20 0.37
STAT3 P40763 1/20 0.37
MTOR P42345 1/20 0.37
RAB9A P51151 1/20 0.37
HIF1A Q16665 1/20 0.37
TLR3 O15455 1/20 0.35
CA12 O43570 2/20 0.35
CA9 Q16790 2/20 0.35
CA1 P00915 1/20 0.35
MAPT P10636 3/20 0.34
LMNA P02545 3/20 0.34
CYP3A4 P08684 2/20 0.34
ALOX15 P16050 1/20 0.34
NOS1 P29475 1/20 0.34
ALDH1A1 P00352 3/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
POLB P06746 1/20 0.33

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
SCHEMBL8680670 0.90 MAPT (0.36) MEN1KMT2ANPC1STAT3MTOR
SCHEMBL8682364 0.77 CA9 (0.38) MEN1KMT2ANPC1CA12CA9
SCHEMBL8680130 0.71 TDP1 (0.51) MEN1KMT2ANPC1MAPTALDH1A1
SCHEMBL8680450 0.70 ALDH1A1 (0.38) MEN1KMT2ACA9CA1MAPT
SCHEMBL3884117 0.70 CA9 (0.37) MEN1KMT2ANPC1HIF1ACA12
SCHEMBL8685222 0.68 HTT (0.45) MEN1KMT2ANPC1RAB9ACA12
SCHEMBL2861820 0.67 TLR3 (0.59) MEN1KMT2ANPC1STAT3MTOR
SCHEMBL30065909 0.67 TLR3 (0.59) MEN1KMT2ANPC1STAT3MTOR
SCHEMBL25407064 0.66 PTPN1 (0.43) MEN1KMT2ACA12CA9LMNA
SCHEMBL8623371 0.66 MEN1 (0.65) MEN1KMT2ARAB9AHIF1AMAPT

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