SCHEMBL4981297

SCHEMBL4981297

COc1nccc2c3c(ccc12)OC1(C=N3)N(C)c2ccccc2C1(C)C

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.65
THRB P10828 5/20 0.65
KDM4E B2RXH2 5/20 0.65
SMN1; SMN2 Q16637 4/20 0.65
LMNA P02545 4/20 0.65
GAA P10253 4/20 0.65
RECQL P46063 3/20 0.65
TDP1 Q9NUW8 3/20 0.65
ALDH1A1 P00352 2/20 0.65
HPGD P15428 2/20 0.65
HTT P42858 2/20 0.65
ALOX12 P18054 2/20 0.65
L3MBTL1 Q9Y468 2/20 0.65
POLB P06746 1/20 0.65
MAPK1 P28482 1/20 0.65
PKM P14618 2/20 0.64
NPSR1 Q6W5P4 3/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54

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
SCHEMBL13809573 0.87 MAPT (0.82) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL3166534 0.87 MAPT (0.68) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL13809421 0.80 MAPT (0.89) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL7117468 0.79 MAPT (0.72) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL29493000 0.79 MAPT (0.72) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL4620516 0.79 MAPT (1.00) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL13839771 0.79 MAPT (1.00) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL80364 0.79 MAPT (1.00) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL29493002 0.79 MAPT (1.00) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL3166684 0.78 MAPT (0.60) MAPTTHRBKDM4ESMN1; SMN2LMNA

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
US-7351362-B2 Photochromic material THE PILOT INK CO., LTD. (JP) 2008-04-01 US disclosed
US-20050012081-A1 Photochromic material THE PILOT INK CO., LTD. 2005-01-20 US disclosed
EP-1498447-A1 Photochromic material THE PILOT INK CO., LTD. (JP) 2005-01-19 EP disclosed