SCHEMBL12052696

SCHEMBL12052696

CCOOCc1csc(N=Nc2c(O)c3ccccc3oc2=O)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.45
▸ ATM Q13315 1/20 0.45
▸ RXFP1 Q9HBX9 1/20 0.45
▸ ADORA3 P0DMS8 1/20 0.42
▸ ALDH1A1 P00352 4/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ NQO1 P15559 2/20 0.40
▸ CYP2C9 P11712 2/20 0.39
▸ PKM P14618 1/20 0.38
▸ CASP3 P42574 1/20 0.38
▸ SENP7 Q9BQF6 1/20 0.38
▸ SENP6 Q9GZR1 1/20 0.38
▸ VKORC1 Q9BQB6 1/20 0.38
▸ RRM1 P23921 1/20 0.38
▸ RRM2B Q7LG56 1/20 0.38
▸ ALOX15 P16050 2/20 0.37
▸ HSD17B10 Q99714 2/20 0.37
▸ CYP1A2 P05177 2/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ HIF1A Q16665 1/20 0.37

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
SCHEMBL12034294 0.88 MAPT (0.49) MAPTATMRXFP1ADORA3ALDH1A1
SCHEMBL13661850 0.80 ALDH1A1 (0.54) MAPTATMRXFP1ADORA3ALDH1A1
SCHEMBL12052697 0.80 ALDH1A1 (0.47) MAPTALDH1A1KDM4ECYP2C9PKM
SCHEMBL13663743 0.80 ALDH1A1 (0.45) MAPTRXFP1ALDH1A1KDM4EALOX15
SCHEMBL12052684 0.75 MAPT (0.43) MAPTATMRXFP1ADORA3ALDH1A1
SCHEMBL12052690 0.73 L3MBTL1 (0.38) MAPTRXFP1ALDH1A1KDM4ECYP2C9
SCHEMBL12034211 0.72 MAPT (0.48) MAPTATMRXFP1ADORA3ALDH1A1
SCHEMBL11766670 0.69 MAPT (0.59) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL11766676 0.69 MAPT (0.59) MAPTATMRXFP1ALDH1A1KDM4E
SCHEMBL12052654 0.66 — —

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 4 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
US-20090263611-A1 OPTICAL RECORDING MEDIUM, OPTICAL RECORDING MATERIAL AND METAL COMPLEX COMPOUND MITSUBISHI KAGAKU MEDIA CO., LTD. (JP) 2009-10-22 — — US disclosed
EP-1903561-A1 OPTICAL RECORDING MEDIUM, OPTICAL RECORDING MATERIAL AND METAL COMPLEX COMPOUND Mitsubishi Kagaku Media Co., Ltd. (JP) 2008-03-26 — — EP disclosed
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