SCHEMBL3158374

SCHEMBL3158374

COc1ccc2c(c1)C(C)(C)C1(C=Nc3c(ccc4cnccc34)O1)N2C

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.67
THRB P10828 5/20 0.67
KDM4E B2RXH2 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 4/20 0.67
GAA P10253 4/20 0.67
RECQL P46063 3/20 0.67
TDP1 Q9NUW8 3/20 0.67
ALDH1A1 P00352 2/20 0.67
HPGD P15428 2/20 0.67
HTT P42858 2/20 0.67
ALOX12 P18054 2/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
POLB P06746 1/20 0.67
MAPK1 P28482 1/20 0.67
PKM P14618 2/20 0.56
NPSR1 Q6W5P4 3/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41

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
SCHEMBL9867611 0.93 MAPT (0.70) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL4980717 0.87 MAPT (0.59) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL9996010 0.87 MAPT (0.80) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL3161042 0.87 MAPT (0.58) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL3148290 0.87 MAPT (0.58) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL4002922 0.87 MAPT (0.58) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL3162588 0.87 MAPT (0.58) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL29715802 0.84 MAPT (0.78) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL3164187 0.84 MAPT (0.78) MAPTTHRBKDM4ESMN1; SMN2LMNA
SCHEMBL3164466 0.84 MAPT (0.55) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1498447-B1 Photochromic material PILOT INK CO LTD (JP) 2010-02-24 EP disclosed
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