SCHEMBL12034115

SCHEMBL12034115

CCCCn1c(O)c(N=Nc2ncc([N+](=O)[O-])s2)c(=O)n(CCCC)c1=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 1/20 0.44
▸ LMNA P02545 3/20 0.39
▸ ALDH1A1 P00352 5/20 0.39
▸ MAPT P10636 4/20 0.39
▸ KMT2A Q03164 4/20 0.39
▸ MEN1 O00255 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CYP1A2 P05177 2/20 0.37
▸ PSMD14 O00487 1/20 0.37
▸ NPC1 O15118 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ GAA P10253 1/20 0.36
▸ PDE4A P27815 4/20 0.35
▸ PDE4B Q07343 4/20 0.35
▸ PDE4C Q08493 4/20 0.35
▸ PDE4D Q08499 4/20 0.35
▸ ADORA2A P29274 3/20 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
SCHEMBL12034233 0.74 ALDH1A1 (0.48) LMNAALDH1A1MAPTKMT2AMEN1
SCHEMBL3262231 0.70 KDR (0.51) KDRLMNAALDH1A1MAPTKMT2A
SCHEMBL3262230 0.70 KDR (0.51) KDRLMNAALDH1A1MAPTKMT2A
SCHEMBL13661826 0.69 RAB9A (0.40) KDRLMNAALDH1A1MAPTKMT2A
SCHEMBL9869006 0.64 ALDH1A1 (0.42) KDRLMNAALDH1A1MAPTKMT2A
SCHEMBL15827084 0.64 KDR (0.60) KDRLMNAALDH1A1MAPTKMT2A
SCHEMBL9349768 0.63 KDR (0.49) KDRLMNAMAPTKMT2A
SCHEMBL11616761 0.62 KDR (0.53) KDRLMNAALDH1A1MAPTKMT2A
SCHEMBL15827073 0.61 KDR (0.54) KDRLMNAALDH1A1MAPTKMT2A
SCHEMBL11139627 0.61 ALDH1A1 (0.55) KDRLMNAALDH1A1MAPTKMT2A

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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