SCHEMBL12052691

SCHEMBL12052691

CCOOCc1cnc(N=Nc2c(O)c3ccccc3n(C)c2=O)cc1C

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.43
▸ KDM4E B2RXH2 4/20 0.43
▸ TSHR P16473 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ SMN1; SMN2 Q16637 8/20 0.37
▸ NPC1 O15118 3/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ MAPT P10636 4/20 0.36
▸ GAA P10253 1/20 0.36
▸ HPGD P15428 3/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ MEN1 O00255 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ MAPK1 P28482 1/20 0.35
▸ PRNP P04156 1/20 0.35
▸ RXFP1 Q9HBX9 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
SCHEMBL12034303 0.91 ALDH1A1 (0.43) ALDH1A1KDM4ETSHRSMN1; SMN2NPC1
SCHEMBL13661852 0.82 ALDH1A1 (0.53) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL13663743 0.74 ALDH1A1 (0.45) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL12034220 0.72 ALDH1A1 (0.44) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL12034091 0.67 KDM4E (0.42) ALDH1A1KDM4EHSD17B10SMN1; SMN2NPC1
SCHEMBL13661853 0.66 ALDH1A1 (0.54) ALDH1A1KDM4ETSHRHSD17B10SMN1; SMN2
SCHEMBL12034309 0.65 ALDH1A1 (0.38) ALDH1A1KDM4ESMN1; SMN2NPC1ALOX15
SCHEMBL13830204 0.64 ALDH1A1 (0.49) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL30440624 0.64 KMT2A (0.57) ALDH1A1KDM4ESMN1; SMN2NPC1MAPT
SCHEMBL12052684 0.64 MAPT (0.43) ALDH1A1KDM4EHSD17B10ALOX15MAPT

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 3 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
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