SCHEMBL9747006

SCHEMBL9747006

Cc1cccc(CN2c3ccccc3C(C)(C)C23C=Nc2c(ccc4ccccc24)O3)c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 9/20 0.63
THRB P10828 5/20 0.63
KDM4E B2RXH2 5/20 0.63
SMN1; SMN2 Q16637 4/20 0.63
ALOX12 P18054 2/20 0.63
L3MBTL1 Q9Y468 2/20 0.63
PKM P14618 2/20 0.63
LMNA P02545 5/20 0.52
GAA P10253 4/20 0.52
RECQL P46063 3/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 3/20 0.52
ALDH1A1 P00352 2/20 0.52
HPGD P15428 2/20 0.52
HTT P42858 2/20 0.52
POLB P06746 1/20 0.52
NPSR1 Q6W5P4 4/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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
SCHEMBL2397751 0.93 MAPT (0.65) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL2399622 0.90 MAPT (0.70) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9746043 0.90 MAPT (0.62) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9746036 0.90 MAPT (0.66) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9746316 0.90 MAPT (0.66) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9746717 0.87 MAPT (0.65) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL8525875 0.86 MAPT (0.62) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL2397282 0.86 MAPT (0.66) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL9745693 0.85 MAPT (0.65) MAPTTHRBKDM4ESMN1; SMN2ALOX12
SCHEMBL2400708 0.85 MAPT (0.65) MAPTTHRBKDM4ESMN1; SMN2ALOX12

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0171909-B1 SPIRO-OXAZINE COMPOUNDS AND PREPARATION THEREOF AND PHOTOCHROMIC SHAPED ARTICLE TORAY INDUSTRIES, INC. (JP) 1992-01-08 EP disclosed
US-4784474-A LENSES; WINDOWS TORAY INDUSTRIES, INC. (JP) 1988-11-15 US disclosed
EP-0171909-A1 Spiro-oxazine compounds and preparation thereof and photochromic shaped article TORAY INDUSTRIES, INC. (JP) 1986-02-19 EP disclosed