SCHEMBL12449775

SCHEMBL12449775

COCCCOc1cccc(-c2c3nc(ccccc(N)c(-c4cccc(OCCCO)c4)c4nc(cc5ccc2[nH]5)C=C4)C=C3)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.45
▸ STAT1 P42224 1/20 0.45
▸ DHFR P00374 2/20 0.33
▸ PDE2A O00408 2/20 0.33
▸ PDE10A Q9Y233 1/20 0.33
▸ HDAC6 Q9UBN7 7/20 0.32
▸ HDAC3 O15379 6/20 0.32
▸ HDAC4 P56524 6/20 0.32
▸ HDAC1 Q13547 6/20 0.32
▸ HDAC7 Q8WUI4 6/20 0.32
▸ HDAC2 Q92769 6/20 0.32
▸ HDAC10 Q969S8 6/20 0.32
▸ HDAC11 Q96DB2 6/20 0.32
▸ HDAC8 Q9BY41 6/20 0.32
▸ HDAC9 Q9UKV0 6/20 0.32
▸ HDAC5 Q9UQL6 6/20 0.32
▸ CHEK2 O96017 2/20 0.32
▸ CHEK1 O14757 1/20 0.32
▸ AURKA O14965 1/20 0.31
▸ KDR P35968 1/20 0.31

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
SCHEMBL1854874 0.87 STAT3 (0.55) STAT3STAT1PDE2APDE10AHDAC6
SCHEMBL4745594 0.81 STAT3 (0.52) STAT3STAT1HDAC6HDAC3HDAC4
SCHEMBL585272 0.77 STAT3 (0.55) STAT3STAT1DHFRHDAC6HDAC3
SCHEMBL1856477 0.77 STAT3 (0.50) STAT3STAT1DHFRHDAC6HDAC3
SCHEMBL584793 0.77 STAT3 (0.52) STAT3STAT1DHFRHDAC6HDAC3
SCHEMBL1861760 0.77 STAT3 (0.52) STAT3STAT1CHEK2DYRK3MAP4K4
SCHEMBL12633119 0.76 STAT3 (0.49) STAT3STAT1DHFRHDAC6HDAC3
Hydrochloric Acid SCHEMBL584374 0.76 STAT3 (0.51) STAT3STAT1DHFRHDAC6HDAC3
Hydrochloric Acid SCHEMBL29883333 0.76 STAT3 (0.51) STAT3STAT1DHFRHDAC6HDAC3
SCHEMBL12057410 0.75 STAT3 (0.47) STAT3STAT1HDAC6HDAC3HDAC4

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
EP-1558616-B2 MESO-SUBSTITUTED PORPHYRINS MOLTENI & C (IT) 2011-08-24 — — EP disclosed
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