SCHEMBL6014909

SCHEMBL6014909

CCCCCc1c2nc(c(C(=O)O)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ SIRT1 Q96EB6 1/20 0.33
▸ HCAR2 Q8TDS4 2/20 0.33
▸ HCAR3 P49019 1/20 0.33
▸ PLA2G4A P47712 1/20 0.32
▸ DHODH Q02127 1/20 0.32
▸ BID P55957 3/20 0.32
▸ MCL1 Q07820 3/20 0.32
▸ BCL2L1 Q07817 2/20 0.32
▸ BAK1 Q16611 2/20 0.32
▸ KAT8 Q9H7Z6 2/20 0.32
▸ PPARG P37231 1/20 0.32
▸ PPARA Q07869 1/20 0.32
▸ EP300 Q09472 1/20 0.32
▸ KAT2A Q92830 1/20 0.32
▸ KAT2B Q92831 1/20 0.32
▸ KAT5 Q92993 1/20 0.32
▸ SAE1 Q9UBE0 1/20 0.32
▸ MPL P40238 1/20 0.32

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
SCHEMBL4944703 0.89 STAT3 (0.40) STAT3STAT1SIRT1
SCHEMBL29910098 0.88 STAT3 (0.39) STAT3STAT1
SCHEMBL5133634 0.85 STAT3 (0.42) STAT3STAT1SIRT1
SCHEMBL4551743 0.85 STAT3 (0.44) STAT3STAT1SIRT1
SCHEMBL3720959 0.84 STAT3 (0.37) STAT3STAT1
SCHEMBL3520094 0.84 STAT3 (0.41) STAT3STAT1
SCHEMBL6003904 0.84 STAT3 (0.41) STAT3STAT1
SCHEMBL3522373 0.84 STAT3 (0.41) STAT3STAT1
SCHEMBL15510967 0.84 STAT3 (0.41) STAT3STAT1
SCHEMBL7647119 0.84 STAT3 (0.41) STAT3STAT1

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
WO-2006038823-A1 BETA-SUBSTITUTED PORPHYRINS MASSEY UNIVERSITY (NZ) 2006-04-13 — — WO disclosed
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