SCHEMBL7194873

SCHEMBL7194873

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

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.67
▸ HPGD P15428 2/20 0.47
▸ LMNA P02545 1/20 0.47
▸ L3MBTL1 Q9Y468 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.42
▸ CES2 O00748 2/20 0.36
▸ CES1 P23141 2/20 0.36
▸ GAA P10253 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CHEK2 O96017 1/20 0.33
▸ TRPA1 O75762 3/20 0.33
▸ RARB P10826 1/20 0.33
▸ RARG P13631 1/20 0.33
▸ RXRA P19793 1/20 0.33
▸ RXRB P28702 1/20 0.33
▸ RXRG P48443 1/20 0.33
▸ ABCB11 O95342 1/20 0.33
▸ SIGMAR1 Q99720 1/20 0.33
▸ NPC1 O15118 1/20 0.33

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
SCHEMBL20935052 1.00 HTT (0.67) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL7194878 1.00 HTT (0.67) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL29387003 0.94 HTT (0.59) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL7195875 0.88 HTT (0.65) HTTHPGDLMNAALDH1A1GAA
SCHEMBL7195870 0.88 HTT (0.65) HTTHPGDLMNAALDH1A1GAA
SCHEMBL7202487 0.87 HTT (0.52) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL7202483 0.87 HTT (0.52) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL22550043 0.83 HTT (0.47) HTTHPGDLMNAL3MBTL1ALDH1A1
SCHEMBL28637934 0.81 MAPT (0.49) HTTHPGDLMNAALDH1A1GAA
SCHEMBL11372119 0.80 HTT (1.00) HTTLMNAL3MBTL1ALDH1A1CES2

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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