SCHEMBL9115489

SCHEMBL9115489

CCCN1c2ccc(C)c(C)c2C(C)(C)C12C=Nc1c(ccc3ncccc13)O2

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.39
MAPT P10636 4/20 0.39
THRB P10828 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
ALOX12 P18054 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
PKM P14618 1/20 0.39
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
HTT P42858 2/20 0.33
LMNA P02545 2/20 0.33
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
MAPK1 P28482 1/20 0.33
RECQL P46063 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31

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
SCHEMBL10668429 0.88 MAPT (0.48) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL8717639 0.84 KDM4E (0.43) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL14902888 0.84 MAPT (0.43) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL10668944 0.83 KDM4E (0.41) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL5190280 0.80 MAPT (0.51) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL9868108 0.76 KDM4E (0.38) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL2397763 0.73 MAPT (0.54) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL1408653 0.73 KDM4E (0.68) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL2401836 0.72 KDM4E (0.44) KDM4EMAPTTHRBSMN1; SMN2ALOX12
SCHEMBL29493000 0.72 MAPT (0.72) KDM4EMAPTTHRBSMN1; 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
WO-1995010790-A1 HIGH REFRACTIVE INDEX PHOTOCHROMIC OPHTHALMIC ARTICLE PPG INDUSTRIES, INC. (US) 1995-04-20 WO claimed