SCHEMBL8682138

SCHEMBL8682138

COc1ccc2c(c1)C(C)(C)C1(C=Cc3c([N+](=O)[O-])ccc(OC)c3O1)N2C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GFER P55789 1/20 0.42
ALDH1A1 P00352 4/20 0.40
MAPK1 P28482 2/20 0.40
SNCA P37840 2/20 0.35
MAPT P10636 5/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 4/20 0.35
LMNA P02545 4/20 0.35
THRB P10828 3/20 0.35
RECQL P46063 3/20 0.35
TDP1 Q9NUW8 3/20 0.35
KDM4E B2RXH2 2/20 0.35
HPGD P15428 2/20 0.35
HTT P42858 2/20 0.35
ALOX12 P18054 1/20 0.35
POLB P06746 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PLIN1 O60240 1/20 0.35

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
SCHEMBL8680226 0.91 MEN1 (0.51) MEN1KMT2AGFERALDH1A1MAPK1
SCHEMBL8680048 0.90 MEN1 (0.41) MEN1KMT2AGFERALDH1A1MAPK1
SCHEMBL8680155 0.89 MEN1 (0.41) MEN1KMT2AGFERALDH1A1MAPK1
SCHEMBL8680177 0.88 MEN1 (0.40) MEN1KMT2AGFERALDH1A1MAPK1
SCHEMBL8679863 0.87 MAPT (0.43) MEN1KMT2AGFERALDH1A1MAPK1
SCHEMBL8685186 0.87 MEN1 (0.41) MEN1KMT2AGFERALDH1A1MAPT
SCHEMBL8680674 0.86 MEN1 (0.43) MEN1KMT2AGFERALDH1A1MAPK1
SCHEMBL8680865 0.85 MEN1 (0.36) MEN1KMT2AGFERALDH1A1MAPK1
SCHEMBL8681211 0.85 MEN1 (0.42) MEN1KMT2AGFERALDH1A1MAPK1
SCHEMBL8679958 0.82 MEN1 (0.47) MEN1KMT2AGFERALDH1A1MAPK1

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-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-5551973-A LIQUID CRYSTAL GEL PHASE, MICROEMULSION PHASE XEROX CORPORATION (US) 1996-09-03 US disclosed