SCHEMBL8680373

SCHEMBL8680373

CN1C=CC=CC12C=Cc1cc(Br)ccc1O2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 3/20 0.44
HTR2C P28335 3/20 0.35
CA12 O43570 1/20 0.34
CA2 P00918 1/20 0.34
CA9 Q16790 1/20 0.34
AHR P35869 3/20 0.33
PTGS1 P23219 1/20 0.32
PTGS2 P35354 1/20 0.32
XDH P47989 1/20 0.32
GAA P10253 2/20 0.30
MAPT P10636 2/20 0.30
LMNA P02545 1/20 0.30
ALPG P10696 1/20 0.30
RECQL P46063 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
MEN1 O00255 1/20 0.30
TP53 P04637 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL8680097 0.80 HTR2C (0.39) NPSR1HTR2CGAAMAPTLMNA
SCHEMBL8680171 0.74 NPSR1 (0.46) NPSR1HTR2CCA12CA2CA9
SCHEMBL482227 0.71 NPSR1 (0.49) NPSR1HTR2CCA12CA2CA9
SCHEMBL8680102 0.68 SMN1; SMN2 (0.47) CA12CA9GAAMAPTLMNA
SCHEMBL8535510 0.64 NPSR1 (0.41) NPSR1HTR2CCA12CA2CA9
SCHEMBL6981088 0.63 NPSR1 (0.43) NPSR1HTR2CCA12CA2CA9
SCHEMBL31543816 0.63 HTR2C (0.60) NPSR1HTR2CCA12CA2CA9
SCHEMBL8685132 0.63 TLR3 (0.46) CA12CA9PTGS1PTGS2XDH
SCHEMBL8684684 0.62 NPSR1 (0.42) NPSR1HTR2CCA12CA2CA9
SCHEMBL4628824 0.62 MAPT (0.74) NPSR1HTR2CCA12CA2CA9

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