SCHEMBL8680545

SCHEMBL8680545

COc1ccc2c(c1)SC1(Oc3ccc(Br)cc3C=C1C)N2C

nearest known ligand 0.32

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PAX8 Q06710 1/20 0.32
SNCA P37840 4/20 0.32
LMNA P02545 2/20 0.32
MAOB P27338 2/20 0.32
MAPT P10636 2/20 0.32
MEN1 O00255 1/20 0.32
PLIN1 O60240 1/20 0.32
GAA P10253 1/20 0.32
THRB P10828 1/20 0.32
PKM P14618 1/20 0.32
TSHR P16473 1/20 0.32
RECQL P46063 1/20 0.32
PLIN5 Q00G26 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
ABHD5 Q8WTS1 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
TP53 P04637 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
SCHEMBL8680866 0.90
SCHEMBL8685181 0.84 SNCA (0.50) PAX8SNCALMNAMAOBMAPT
SCHEMBL8680411 0.83 NPSR1 (0.33) LMNAMAPTMEN1GAARECQL
SCHEMBL8681148 0.83
SCHEMBL8680456 0.77 SMN1; SMN2 (0.32) SNCALMNAMAPTMEN1GAA
SCHEMBL8680938 0.73 MEN1 (0.38) SNCAMAPTMEN1PKMTSHR
SCHEMBL8680669 0.72 SNCA (0.33) SNCAMAPTMEN1KMT2ASMN1; SMN2
SCHEMBL8678921 0.67 SNCA (0.38) SNCALMNAMAPTMEN1GAA
SCHEMBL8680754 0.65 SMN1; SMN2 (0.40) LMNAMAPTMEN1GAAPKM
SCHEMBL8680688 0.65 MAPT (0.53) PAX8LMNAMAPTMEN1PLIN1

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