SCHEMBL9912586

SCHEMBL9912586

CCC(=O)Oc1ccc2c(c1)C(C)(C)C1(C=Nc3c(cc(C#N)c4ccccc34)O1)N2C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 7/20 0.46
KDM4E B2RXH2 4/20 0.46
THRB P10828 4/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 3/20 0.46
GAA P10253 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
HTT P42858 2/20 0.46
ALOX12 P18054 2/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
RECQL P46063 2/20 0.46
TDP1 Q9NUW8 2/20 0.46
POLB P06746 1/20 0.46
MAPK1 P28482 1/20 0.46
NPSR1 Q6W5P4 3/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL7917137 0.89 MAPT (0.48) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL13104753 0.88 KDM4E (0.40) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL9063236 0.86 MAPT (0.61) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL13104779 0.85 MAPT (0.64) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL3439061 0.83 MAPT (0.52) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL29565266 0.83 MAPT (0.52) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL13104752 0.82 MAPT (0.62) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL8174722 0.81 MAPT (0.65) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL13104780 0.79 MAPT (0.69) MAPTKDM4ETHRBSMN1; SMN2LMNA
SCHEMBL9912585 0.79 MAPT (0.74) MAPTKDM4ETHRBSMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1560893-B1 PHOTOCHROMIC COMPOSITIONS AND LIGHT TRANSMISSIBLE ARTICLES ADVANCED POLYMERIK PTY LTD (AU) 2012-06-06 EP disclosed
US-7807075-B2 Photochromic compositions and light transmissible articles ADVANCED POLYMERIK PTY LTD (AU) 2010-10-05 US disclosed
US-7807075-B2 Photochromic compositions and light transmissible articles ADVANCED POLYMERIK PTY LTD (AU) 2010-10-05 US disclosed
US-20080006798-A1 Photochromic Compositions and Light Transmissible Articles JAMES ROBINSON SPECIALITY INGREDIENTS LTD (GB) 2008-01-10 US disclosed
US-20080006798-A1 Photochromic Compositions and Light Transmissible Articles JAMES ROBINSON SPECIALITY INGREDIENTS LTD (GB) 2008-01-10 US disclosed
US-7247262-B2 Photochromic compositions and light transmissible articles POLYMERS AUSTRALIA PTY LTD. (AU) 2007-07-24 US disclosed
US-7247262-B2 Photochromic compositions and light transmissible articles POLYMERS AUSTRALIA PTY LTD. (AU) 2007-07-24 US disclosed