SCHEMBL8680865

SCHEMBL8680865

COc1ccc([N+](=O)[O-])c2c1OC1(C=C2)N(C)c2cc(C)ccc2C1(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
GFER P55789 1/20 0.36
ALDH1A1 P00352 7/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
LMNA P02545 5/20 0.35
MAPT P10636 4/20 0.35
MAPK1 P28482 2/20 0.35
PKM P14618 1/20 0.35
GAA P10253 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
TSHR P16473 2/20 0.33
ALPG P10696 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.33
TP53 P04637 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33
CYP1A2 P05177 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
SCHEMBL8680674 0.91 MEN1 (0.43) MEN1KMT2AGFERALDH1A1L3MBTL1
SCHEMBL8679863 0.88 MAPT (0.43) MEN1KMT2AGFERALDH1A1L3MBTL1
SCHEMBL8679970 0.88 MEN1 (0.35) MEN1KMT2AGFERALDH1A1L3MBTL1
SCHEMBL8680226 0.86 MEN1 (0.51) MEN1KMT2AGFERALDH1A1L3MBTL1
SCHEMBL8682138 0.85 MEN1 (0.42) MEN1KMT2AGFERALDH1A1L3MBTL1
SCHEMBL8680048 0.85 MEN1 (0.41) MEN1KMT2AGFERALDH1A1L3MBTL1
SCHEMBL8685186 0.82 MEN1 (0.41) MEN1KMT2AGFERALDH1A1LMNA
SCHEMBL8680566 0.82 MEN1 (0.41) MEN1KMT2AGFERALDH1A1L3MBTL1
SCHEMBL8684888 0.82 TDP1 (0.34) MEN1KMT2AALDH1A1L3MBTL1LMNA
SCHEMBL8682547 0.82 KMT2A (0.33) MEN1KMT2AGFERALDH1A1LMNA

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