SCHEMBL8680544

SCHEMBL8680544

COc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(N(C)C)c2ccccc2C1(C)c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.33
MAPK1 P28482 3/20 0.33
MEN1 O00255 5/20 0.32
KMT2A Q03164 5/20 0.32
GFER P55789 1/20 0.32
MAPT P10636 6/20 0.32
LMNA P02545 4/20 0.32
ALDH1A1 P00352 1/20 0.32
TDP1 Q9NUW8 3/20 0.31
GAA P10253 3/20 0.31
RECQL P46063 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
PLIN1 O60240 1/20 0.31
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
TSHR P16473 1/20 0.31
PLIN5 Q00G26 1/20 0.31
ABHD5 Q8WTS1 1/20 0.31
NPSR1 Q6W5P4 3/20 0.31
ALPG P10696 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
SCHEMBL8681083 0.89 MEN1 (0.39) SMN1; SMN2MAPK1MEN1KMT2AGFER
SCHEMBL8682720 0.88 SMN1; SMN2 (0.33) SMN1; SMN2MAPK1MEN1KMT2AGFER
SCHEMBL8682560 0.84 MEN1 (0.30) MEN1KMT2AMAPT
SCHEMBL8680332 0.83 MEN1 (0.30) MEN1KMT2A
SCHEMBL8681088 0.83 MEN1 (0.48) SMN1; SMN2MAPK1MEN1KMT2AGFER
SCHEMBL8682683 0.82 MEN1 (0.46) SMN1; SMN2MAPK1MEN1KMT2AGFER
SCHEMBL29473569 0.80 MAPT (0.50) SMN1; SMN2MAPK1MEN1KMT2AGFER
SCHEMBL13326515 0.80 MAPT (0.50) SMN1; SMN2MAPK1MEN1KMT2AGFER
SCHEMBL30612732 0.80 MAPT (0.50) SMN1; SMN2MAPK1MEN1KMT2AGFER
SCHEMBL976219 0.80 MAPT (0.50) SMN1; SMN2MAPK1MEN1KMT2AGFER

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