SCHEMBL2340556

SCHEMBL2340556

C[N+](C)(C)c1cccc(OCCOc2ccc(-c3c4nc(cc5ccc([nH]5)c(-c5ccc(OCCOc6cccc([N+](C)(C)C)c6)cc5)c5nc(cc6ccc3[nH]6)C=C5)C=C4)cc2)c1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.51
▸ STAT1 P42224 1/20 0.51
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ CHRNA7 P36544 1/20 0.32
▸ TOP1 P11387 3/20 0.32
▸ TERT O14746 2/20 0.32
▸ ACHE P22303 3/20 0.31
▸ ABCG2 Q9UNQ0 1/20 0.31
▸ CYCS P99999 3/20 0.31
▸ HDAC6 Q9UBN7 1/20 0.31
▸ ENPP2 Q13822 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
Exeporfinium SCHEMBL585997 0.83 STAT3 (0.52) STAT3STAT1CHRNB4CHRNA3CHRNA7
Exeporfinium SCHEMBL5012396 0.82 STAT3 (0.51) STAT3STAT1CHRNB4CHRNA3CHRNA7
Exeporfinium SCHEMBL584418 0.82 STAT3 (0.51) STAT3STAT1CHRNB4CHRNA3CHRNA7
SCHEMBL12633142 0.82 STAT3 (0.55) STAT3STAT1TOP1TERTABCG2
SCHEMBL584793 0.81 STAT3 (0.52) STAT3STAT1TERTHDAC6
Hydrochloric Acid SCHEMBL29648896 0.81 STAT3 (0.48) STAT3STAT1CHRNB4CHRNA3CHRNA7
SCHEMBL21523873 0.80 STAT3 (0.53) STAT3STAT1TERT
Hydrochloric Acid SCHEMBL584374 0.80 STAT3 (0.51) STAT3STAT1TERTHDAC6
Hydrochloric Acid SCHEMBL29883333 0.80 STAT3 (0.51) STAT3STAT1TERTHDAC6
SCHEMBL585086 0.80 STAT3 (0.55) STAT3STAT1TOP1TERTACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 — — EP claimed
EP-1558616-B1 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2008-02-27 — — EP claimed
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