SCHEMBL8685169

SCHEMBL8685169

O=[N+]([O-])c1ccc2c3c(ccc2c1)OC1(C=C3)Oc2ccccc2C=C1c1ccccc1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.34
KMT2A Q03164 7/20 0.33
MEN1 O00255 6/20 0.33
GFER P55789 1/20 0.33
MAPT P10636 6/20 0.33
NPC1 O15118 3/20 0.33
SMN1; SMN2 Q16637 3/20 0.33
ALDH1A1 P00352 2/20 0.33
RAB9A P51151 2/20 0.33
HTT P42858 2/20 0.33
HPGD P15428 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
GLA P06280 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
POLB P06746 1/20 0.32
CASP6 P55212 1/20 0.32
OPRK1 P41145 1/20 0.32
HIF1A Q16665 1/20 0.32

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
SCHEMBL8680293 0.92 CYP19A1 (0.36) CYP19A1KMT2AMEN1MAPTNPC1
SCHEMBL8682348 0.91 KMT2A (0.34) CYP19A1KMT2AMEN1MAPTNPC1
SCHEMBL8680370 0.91 NPSR1 (0.32) CYP19A1KMT2AMEN1MAPTNPC1
SCHEMBL8682558 0.89 PTGS1 (0.39) CYP19A1KMT2AMEN1MAPTNPC1
SCHEMBL8678205 0.88 MEN1 (0.35) KMT2AMEN1GFERMAPTNPC1
SCHEMBL8682553 0.86 MEN1 (0.36) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL8684835 0.85 MEN1 (0.43) CYP19A1KMT2AMEN1GFERMAPT
SCHEMBL8679967 0.83 KDM4E (0.33) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL8680556 0.82 KDM4E (0.44) KMT2AMEN1MAPTNPC1SMN1; SMN2
SCHEMBL8680564 0.81 MEN1 (0.36) KMT2AMEN1MAPTNPC1SMN1; SMN2

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