SCHEMBL8680102

SCHEMBL8680102

CN1C=CC=CC12C=Cc1c(ccc3ccccc13)O2

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.47
HTT P42858 1/20 0.47
KDM4E B2RXH2 3/20 0.43
MAPT P10636 3/20 0.43
MEN1 O00255 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
CA12 O43570 1/20 0.37
CA9 Q16790 1/20 0.37
THRB P10828 1/20 0.31
PKM P14618 1/20 0.31
ALOX12 P18054 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
TAAR1 Q96RJ0 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
SCHEMBL8680311 0.75 SMN1; SMN2 (0.44) SMN1; SMN2HTTKDM4EMAPTMEN1
SCHEMBL8680097 0.75 HTR2C (0.39) HTTMAPTMEN1LMNAGAA
SCHEMBL30612735 0.72 ALDH1A1 (0.55) SMN1; SMN2HTTKDM4EMAPTMEN1
SCHEMBL5913910 0.72 ALDH1A1 (0.55) SMN1; SMN2HTTKDM4EMAPTMEN1
SCHEMBL12588590 0.70 SMN1; SMN2 (0.51) SMN1; SMN2HTTKDM4EMAPTMEN1
SCHEMBL15196166 0.69 ALDH1A1 (0.52) SMN1; SMN2HTTKDM4EMAPTMEN1
SCHEMBL8680211 0.69 ALDH1A1 (0.46) SMN1; SMN2HTTKDM4EMAPTMEN1
SCHEMBL8680331 0.68 SMN1; SMN2 (0.45) SMN1; SMN2HTTKDM4EMAPTMEN1
SCHEMBL8684914 0.68 KDM4E (0.48) SMN1; SMN2HTTKDM4EMAPTMEN1
SCHEMBL361847 0.67 KDM4E (0.50) SMN1; SMN2HTTKDM4EMAPTMEN1

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