SCHEMBL11315720

SCHEMBL11315720

C1=Cc2cc3cc(-c4cccc5ccccc45)c(cc4nc(cc5ccc(cc1n2)[nH]5)C=C4)[nH]3.[Al]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.38
▸ STAT1 P42224 1/20 0.38
▸ GSK3B P49841 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ CDK5R1 Q15078 1/20 0.36
▸ BCHE P06276 1/20 0.35
▸ KDM4E B2RXH2 2/20 0.34
▸ ALPL P05186 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ PI4KA P42356 1/20 0.34
▸ PI4K2B Q8TCG2 1/20 0.34
▸ PI4K2A Q9BTU6 1/20 0.34
▸ PI4KB Q9UBF8 1/20 0.34
▸ MAPK13 O15264 1/20 0.33
▸ GCGR P47871 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33
▸ NISCH Q9Y2I1 1/20 0.33
▸ ALOX5 P09917 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
SCHEMBL11328891 0.99 STAT3 (0.39) STAT3STAT1GSK3BCDK5CDK5R1
SCHEMBL11568376 0.97 STAT3 (0.38) STAT3STAT1GSK3BCDK5CDK5R1
SCHEMBL28513504 0.97 STAT3 (0.38) STAT3STAT1GSK3BCDK5CDK5R1
SCHEMBL11313167 0.97 STAT3 (0.38) STAT3STAT1GSK3BCDK5CDK5R1
SCHEMBL28489793 0.97 STAT3 (0.38) STAT3STAT1GSK3BCDK5CDK5R1
O-Xylene SCHEMBL28139724 0.92 ALDH1A1 (0.36) STAT3STAT1GSK3BCDK5CDK5R1
Toluene SCHEMBL28139713 0.91 STAT3 (0.37) STAT3STAT1GSK3BCDK5CDK5R1
SCHEMBL9298253 0.90 GSK3B (0.42) STAT3STAT1GSK3BCDK5CDK5R1
SCHEMBL28838451 0.86 STAT3 (0.36) STAT3STAT1
SCHEMBL28509268 0.83 STAT3 (0.38) STAT3STAT1NISCH

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
US-4256598-A DETERGENT AND PHOTOINITIATOR COMPRISING A SULFONATED PORPHINE OR MONO-, DI, OR TRIAZAPORPHINE OR A PHTHALOCYANINE COMPOUND; WATER SOLUBILITY THE PROCTER & GAMBLE COMPANY (US) 1981-03-17 — — US disclosed
US-4255273-A COMPRISING A WATER-SOLUBLE PHOTOACTIVATOR AND A CATIONIC SUBSTANCE THE PROCTER & GAMBLE COMPANY (US) 1981-03-10 — — US disclosed
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