SCHEMBL8680767

SCHEMBL8680767

CCC1(C)c2ccccc2N(C)C12C=Cc1c([N+](=O)[O-])ccc(OC)c1O2

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.33
MAPT P10636 4/20 0.33
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 4/20 0.32
GAA P10253 3/20 0.32
NPSR1 Q6W5P4 3/20 0.32
RECQL P46063 2/20 0.32
ALPG P10696 1/20 0.32
TP53 P04637 1/20 0.32
ALOX15 P16050 1/20 0.32
HSD17B10 Q99714 1/20 0.32
HTT P42858 1/20 0.32
HTR1A P08908 1/20 0.31
L3MBTL1 Q9Y468 3/20 0.31
ATM Q13315 1/20 0.31
GPR55 Q9Y2T6 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
SCHEMBL8679863 0.88 MAPT (0.43) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8680465 0.87 MEN1 (0.33) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8680219 0.85 SMN1; SMN2 (0.34) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8680507 0.81 MAPT (0.38) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8680598 0.80 MAPT (0.41) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8684888 0.80 TDP1 (0.34) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8682534 0.79 MAPT (0.40) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8685186 0.79 MEN1 (0.41) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8680226 0.79 MEN1 (0.51) TDP1MAPTMEN1KMT2AALDH1A1
SCHEMBL8682138 0.78 MEN1 (0.42) TDP1MAPTMEN1KMT2AALDH1A1

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