SCHEMBL12438151

SCHEMBL12438151

Cc1ccc2c(c1)N(C)C1(C=Nc3c(ccc4ccccc34)O1)C2(C)C

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.80
KDM4E B2RXH2 5/20 0.80
THRB P10828 5/20 0.80
SMN1; SMN2 Q16637 5/20 0.80
ALOX12 P18054 2/20 0.80
L3MBTL1 Q9Y468 2/20 0.80
PKM P14618 2/20 0.80
LMNA P02545 4/20 0.64
GAA P10253 4/20 0.64
HTT P42858 3/20 0.64
RECQL P46063 3/20 0.64
TDP1 Q9NUW8 3/20 0.64
ALDH1A1 P00352 2/20 0.64
HPGD P15428 2/20 0.64
MAPK1 P28482 2/20 0.64
POLB P06746 1/20 0.64
NPSR1 Q6W5P4 3/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52

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
SCHEMBL4620865 0.93 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL2401558 0.89 MAPT (0.76) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13839771 0.89 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL29493002 0.89 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL80364 0.89 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL2183705 0.88 MAPT (0.78) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13619794 0.85 MAPT (0.74) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13619787 0.85 MAPT (0.74) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL1408846 0.85 MAPT (0.67) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13809535 0.84 MAPT (0.79) MAPTKDM4ETHRBSMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011102599-A1 PHOTOCHROMIC MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2011-08-25 WO disclosed
WO-2011096643-A1 PHOTOCHROMIC MATERIAL KOREA UNIVERSITY RESEARCH AND BUSINESS FOUNDATION (KR) 2011-08-11 WO disclosed