SCHEMBL8680656

SCHEMBL8680656

CCc1cc([N+](=O)[O-])cc2c1OC1(C=C2)N(C)c2ccccc2C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
LMNA P02545 6/20 0.51
GAA P10253 4/20 0.51
TDP1 Q9NUW8 4/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 3/20 0.51
NPSR1 Q6W5P4 3/20 0.51
RECQL P46063 3/20 0.51
ALPG P10696 1/20 0.51
TP53 P04637 1/20 0.51
ALOX15 P16050 1/20 0.51
HSD17B10 Q99714 1/20 0.51
GFER P55789 1/20 0.46
SMN1; SMN2 Q16637 8/20 0.42
MAPK1 P28482 3/20 0.42
THRB P10828 5/20 0.39
PKM P14618 2/20 0.39
PLIN1 O60240 1/20 0.39
TSHR P16473 1/20 0.39
PLIN5 Q00G26 1/20 0.39

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
SCHEMBL13619863 0.92 MAPT (0.49) MAPTLMNAGAATDP1MEN1
SCHEMBL13619861 0.92 MAPT (0.49) MAPTLMNAGAATDP1MEN1
SCHEMBL8684889 0.92 MAPT (0.52) MAPTLMNAGAATDP1MEN1
SCHEMBL14439764 0.92 MAPT (0.49) MAPTLMNAGAATDP1MEN1
SCHEMBL8680180 0.90 MAPT (0.48) MAPTLMNAGAATDP1MEN1
SCHEMBL8680371 0.89 MAPT (0.47) MAPTLMNAGAATDP1MEN1
SCHEMBL8680301 0.87 MAPT (0.53) MAPTLMNAGAATDP1MEN1
SCHEMBL5573271 0.87 SMN1; SMN2 (0.55) MAPTLMNAGAATDP1MEN1
SCHEMBL8680348 0.87 MAPT (0.53) MAPTLMNAGAATDP1MEN1
SCHEMBL8682115 0.87 MAPT (0.45) MAPTLMNAGAATDP1MEN1

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