SCHEMBL12034291

SCHEMBL12034291

CCc1ccc(N=Nc2c(O)c3ccccc3oc2=O)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 1/20 0.48
▸ ATM Q13315 1/20 0.48
▸ RXFP1 Q9HBX9 1/20 0.48
▸ ALDH1A1 P00352 4/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ RECQL P46063 1/20 0.47
▸ NQO1 P15559 4/20 0.43
▸ PKM P14618 1/20 0.43
▸ CYP2C9 P11712 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ ABCB11 O95342 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ PDE4D Q08499 1/20 0.42

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
SCHEMBL12052684 0.87 MAPT (0.43) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL13661849 0.83 ALDH1A1 (0.55) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL12034211 0.73 MAPT (0.48) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL11766670 0.72 MAPT (0.59) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL11766676 0.72 MAPT (0.59) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL12034294 0.72 MAPT (0.49) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL6695228 0.68 KDM4E (0.59) MAPTALDH1A1KDM4ENQO1CYP2C9
SCHEMBL12034292 0.68 MAPT (0.48) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL13661850 0.68 ALDH1A1 (0.54) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL6589409 0.67 NQO1 (0.75) ALDH1A1KDM4ENQO1CYP2C9MEN1

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
US-8309196-B2 Optical recording medium, optical recording material and metal complex compound MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2012-11-13 — — US disclosed
US-20110311752-A1 OPTICAL RECORDING MEDIUM, OPTICAL RECORDING MATERIAL AND METAL COMPLEX COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2011-12-22 — — US disclosed
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