SCHEMBL8680573

SCHEMBL8680573

CN1c2c(-c3ccccc3)cccc2C(C)(C)C12C=Cc1cccc([N+](=O)[O-])c1O2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.40
TDP1 Q9NUW8 3/20 0.39
ALDH1A1 P00352 1/20 0.39
MEN1 O00255 5/20 0.37
KMT2A Q03164 5/20 0.37
GFER P55789 1/20 0.37
GAA P10253 3/20 0.36
NPSR1 Q6W5P4 3/20 0.36
LMNA P02545 3/20 0.36
RECQL P46063 2/20 0.36
ALPG P10696 1/20 0.36
TP53 P04637 1/20 0.36
ALOX15 P16050 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
PLIN1 O60240 1/20 0.30
THRB P10828 1/20 0.30
PKM P14618 1/20 0.30
TSHR P16473 1/20 0.30

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
SCHEMBL8680094 0.86 MAPT (0.40) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8685119 0.85 MAPT (0.41) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL608699 0.83 MAPT (0.53) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8680182 0.83 MAPT (0.39) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8680572 0.82 MAPT (0.37) MAPTTDP1MEN1KMT2AGAA
SCHEMBL8680091 0.81 ALDH1A1 (0.32) TDP1ALDH1A1MEN1KMT2AGFER
SCHEMBL8684926 0.81 MEN1 (0.38) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8680454 0.81 MEN1 (0.48) MAPTTDP1ALDH1A1MEN1KMT2A
SCHEMBL8684865 0.81 MAPT (0.48) MAPTTDP1MEN1KMT2AGFER
SCHEMBL8682380 0.81 MEN1 (0.41) MAPTTDP1ALDH1A1MEN1KMT2A

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