SCHEMBL8720901

SCHEMBL8720901

OCC(CO)Cc1ccc(N(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.47
MEN1 O00255 3/20 0.47
ALDH1A1 P00352 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 2/20 0.42
KDM4E B2RXH2 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TRPA1 O75762 3/20 0.41
ACSS2 Q9NR19 1/20 0.36
CRHBP P24387 1/20 0.36
ATM Q13315 1/20 0.36
CRHR2 Q13324 1/20 0.36
TLR9 Q9NR96 1/20 0.36
APP P05067 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35

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
SCHEMBL21183309 0.92 APP (0.38) KMT2AMEN1ALDH1A1CYP1A2KDM4E
SCHEMBL19038363 0.83 APP (0.37) ALDH1A1KDM4ECYP2C19TRPA1APP
SCHEMBL6888049 0.82 MEN1 (0.43) KMT2AMEN1ACSS2
SCHEMBL5161982 0.81 TRPA1 (0.58) CYP1A2TDP1TRPA1EPHX1TSHR
SCHEMBL279125 0.77 TSHR (0.59) KMT2AMEN1ALDH1A1L3MBTL1CYP1A2
SCHEMBL14488604 0.77 TSHR (0.59) KMT2AMEN1ALDH1A1L3MBTL1CYP1A2
SCHEMBL439584 0.77 TSHR (0.59) KMT2AMEN1ALDH1A1L3MBTL1CYP1A2
SCHEMBL14174076 0.77 TSHR (0.59) KMT2AMEN1ALDH1A1L3MBTL1CYP1A2
SCHEMBL13721525 0.77 TRPA1 (0.58) CYP1A2TDP1TRPA1EPHX1TSHR
SCHEMBL21183314 0.76 MEN1 (0.38) KMT2AMEN1TDP1APPPPARA

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
EP-0868682-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE Akzo Nobel N.V. (NL) 1998-10-07 EP disclosed
WO-1997023807-A1 ELECTRO- OR OPTO-OPTICAL DEVICE STABLE IN THE 600-1600 NANOMETER WAVELENGTH RANGE AKZO NOBEL N.V. (NL) 1997-07-03 WO disclosed