SCHEMBL8680202

SCHEMBL8680202

Cc1ccc2ccc3c(c2n1)OC1(C=C3)N(C)c2ccccc2C1(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.51
GAA P10253 4/20 0.51
LMNA P02545 4/20 0.51
NPSR1 Q6W5P4 3/20 0.51
RECQL P46063 3/20 0.51
TDP1 Q9NUW8 3/20 0.51
MEN1 O00255 3/20 0.51
KMT2A Q03164 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
KDM4E B2RXH2 5/20 0.43
THRB P10828 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
ALOX12 P18054 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
PKM P14618 2/20 0.43
ALDH1A1 P00352 3/20 0.38
HPGD P15428 2/20 0.38

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
SCHEMBL14190054 0.86 MAPT (0.50) MAPTGAALMNANPSR1RECQL
SCHEMBL8685170 0.85 MAPT (0.39) MAPTGAALMNANPSR1RECQL
SCHEMBL8680175 0.85 GAA (0.35) MAPTGAALMNANPSR1RECQL
SCHEMBL8680238 0.81 MAPT (0.55) MAPTGAALMNANPSR1RECQL
SCHEMBL5574082 0.79 MAPT (0.55) MAPTGAALMNANPSR1RECQL
SCHEMBL8681138 0.79 MAPT (0.57) MAPTGAALMNANPSR1RECQL
SCHEMBL8681206 0.77 MAPT (0.55) MAPTGAALMNANPSR1RECQL
SCHEMBL8680295 0.75 MAPT (0.62) MAPTGAALMNANPSR1RECQL
SCHEMBL8680325 0.75 MAPT (0.56) MAPTGAALMNANPSR1RECQL
SCHEMBL8680678 0.75 MAPT (0.56) MAPTGAALMNANPSR1RECQL

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 5 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-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