SCHEMBL7202483

SCHEMBL7202483

CC/C(=N/O)C(=O)c1ccc(Sc2ccc(C(=O)/C(CC)=N/OC(C)=O)cc2)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 1/20 0.52
▸ HPGD P15428 2/20 0.40
▸ LMNA P02545 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ ALDH1A1 P00352 2/20 0.36
▸ PKM P14618 1/20 0.35
▸ KMT2A Q03164 2/20 0.33
▸ MAPK1 P28482 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ GAA P10253 1/20 0.33
▸ MAPT P10636 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ POLB P06746 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ PTGIR P43119 1/20 0.31
▸ CHEK2 O96017 1/20 0.30

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
SCHEMBL7202487 1.00 HTT (0.52) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL20935415 0.94 LMNA (0.44) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL14429955 0.89 HPGD (0.50) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL20935052 0.87 HTT (0.67) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL7194873 0.87 HTT (0.67) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL7194878 0.87 HTT (0.67) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL1478455 0.85 HTT (0.42) HTTLMNAALDH1A1PKMKMT2A
SCHEMBL1478456 0.85 HTT (0.42) HTTLMNAALDH1A1PKMKMT2A
SCHEMBL29387003 0.81 HTT (0.59) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL20709714 0.81 CYP3A4 (0.36) HTTHPGDLMNAL3MBTL1ALDH1A1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596445-B1 Initiators for photopolymerization of radically polymerizable compounds CIBA SPECIALTY CHEMICALS CORPORATION 2003-07-22 — — US disclosed
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