SCHEMBL5573271

SCHEMBL5573271

CN1c2ccccc2C(C)(C)C12C=Cc1cc([N+](=O)[O-])cc([N+](=O)[O-])c1O2

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.55
MAPK1 P28482 4/20 0.55
MAPT P10636 9/20 0.53
TDP1 Q9NUW8 8/20 0.53
MEN1 O00255 6/20 0.53
KMT2A Q03164 6/20 0.53
LMNA P02545 6/20 0.53
GAA P10253 4/20 0.53
NPSR1 Q6W5P4 3/20 0.53
RECQL P46063 3/20 0.53
ALPG P10696 1/20 0.53
TP53 P04637 1/20 0.53
ALOX15 P16050 1/20 0.53
HSD17B10 Q99714 1/20 0.53
GFER P55789 1/20 0.48
THRB P10828 5/20 0.38
PKM P14618 2/20 0.38
TSHR P16473 2/20 0.38
PLIN1 O60240 1/20 0.38
PLIN5 Q00G26 1/20 0.38

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
SCHEMBL8680655 0.90 MAPT (0.52) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL8684900 0.89 MAPT (0.51) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL29493001 0.89 MAPT (0.51) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL1896282 0.89 MAPT (0.51) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL8684883 0.89 MAPT (0.51) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL8682051 0.89 MEN1 (0.60) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL8680348 0.89 MAPT (0.53) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL8680301 0.89 MAPT (0.53) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL8680089 0.88 MAPT (0.52) SMN1; SMN2MAPK1MAPTTDP1MEN1
SCHEMBL8680104 0.88 MAPT (0.52) SMN1; SMN2MAPK1MAPTTDP1MEN1

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 16 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-8277749-B2 Time-temperature indicator based on valence isomerizations FRESHPOINT HOLDINGS S.A. (CH) 2012-10-02 US disclosed
US-8277749-B2 Time-temperature indicator based on valence isomerizations FRESHPOINT HOLDINGS S.A. (CH) 2012-10-02 US disclosed
US-8277749-B2 Time-temperature indicator based on valence isomerizations FRESHPOINT HOLDINGS S.A. (CH) 2012-10-02 US disclosed
US-20100043695-A1 COLOR CHANGING INDICATOR CIBA CORPORATION (US) 2010-02-25 US disclosed
US-20100043695-A1 COLOR CHANGING INDICATOR CIBA CORPORATION (US) 2010-02-25 US disclosed
WO-2008104468-A1 COLOR CHANGING INDICATOR BASF SE (CH) 2008-09-04 WO disclosed
US-20070172951-A1 Time-temperature indicator based on valence isomerizations FRESHPOINT QUALITY ASSURANCE LTD. (IL) 2007-07-26 US disclosed
US-20070172951-A1 Time-temperature indicator based on valence isomerizations FRESHPOINT QUALITY ASSURANCE LTD. (IL) 2007-07-26 US disclosed
US-20070172951-A1 Time-temperature indicator based on valence isomerizations FRESHPOINT QUALITY ASSURANCE LTD. (IL) 2007-07-26 US disclosed
US-6500245-B1 Thermoresponsive coloring formulation for use on reimageable image carrier MCCUE GEOFFREY A (US) 2002-12-31 US disclosed
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