SCHEMBL9061827

SCHEMBL9061827

CCC1(C)c2ccccc2N(C)C12C=Nc1c(ccc3ccccc13)O2

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.76
KDM4E B2RXH2 6/20 0.76
THRB P10828 4/20 0.76
SMN1; SMN2 Q16637 4/20 0.76
ALOX12 P18054 2/20 0.76
L3MBTL1 Q9Y468 2/20 0.76
PKM P14618 1/20 0.76
HTT P42858 3/20 0.58
LMNA P02545 3/20 0.58
GAA P10253 3/20 0.58
ALDH1A1 P00352 2/20 0.58
HPGD P15428 2/20 0.58
MAPK1 P28482 2/20 0.58
RECQL P46063 2/20 0.58
TDP1 Q9NUW8 2/20 0.58
POLB P06746 1/20 0.58
NPSR1 Q6W5P4 3/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL9868518 0.89 MAPT (0.60) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL9061121 0.88 MAPT (0.59) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL5859725 0.88 MAPT (0.61) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL5345117 0.87 MAPT (0.79) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL29493002 0.86 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13839771 0.86 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL80364 0.86 MAPT (1.00) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL13809421 0.81 MAPT (0.89) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL7922835 0.81 MAPT (0.51) MAPTKDM4ETHRBSMN1; SMN2ALOX12
SCHEMBL6482640 0.80 MAPT (0.66) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0726138-A1 Production process of plastic photochromic lens KUREHA KAGAKU KOGYO KABUSHIKI KAISHA (JP) 1996-08-14 EP disclosed