SCHEMBL7261940

SCHEMBL7261940

CCCCCc1c2nc(c(-c3ccc(N=C=S)cc3)c3ccc([nH]3)c(CCCCC)c3nc(c(-c4ccccc4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 3/20 0.38
▸ TOP1 P11387 4/20 0.38
▸ CYCS P99999 3/20 0.37
▸ GCGR P47871 2/20 0.37
▸ STAT3 P40763 1/20 0.36
▸ STAT1 P42224 1/20 0.36
▸ ABCG2 Q9UNQ0 1/20 0.35
▸ ENPP2 Q13822 1/20 0.34
▸ DCTPP1 Q9H773 1/20 0.34

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
SCHEMBL9231247 0.87 TERT (0.48) TERTTOP1CYCSGCGRSTAT3
SCHEMBL7257172 0.78 GCGR (0.45) TERTTOP1CYCSGCGRSTAT3
SCHEMBL8198888 0.78 TERT (0.46) TERTTOP1CYCSSTAT3ABCG2
SCHEMBL6535064 0.78 TERT (0.46) TERTTOP1CYCSGCGRABCG2
SCHEMBL10614661 0.78 TOP1 (0.56) TERTTOP1CYCSGCGRABCG2
SCHEMBL5586493 0.78 TERT (0.43) TERTTOP1CYCSGCGRABCG2
SCHEMBL17681577 0.78 CCNB2 (0.50) TERTTOP1CYCSABCG2ENPP2
SCHEMBL17681581 0.78 CCNB2 (0.50) TERTTOP1CYCSABCG2ENPP2
SCHEMBL12893301 0.76 TERT (0.44) TERTTOP1CYCSGCGRABCG2
SCHEMBL2310933 0.76 TOP1 (0.67) TERTTOP1CYCSABCG2ENPP2

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-1294726-A2 IMPROVEMENTS IN AND RELATING TO CHROMOPHORES Catalyst Biomedica Ltd (GB) 2003-03-26 — — EP disclosed
WO-2002000662-A1 IMPROVEMENTS IN AND RELATING TO CHROMOPHORES CATALYST BIOMEDICA LIMITED (GB) 2002-01-03 — — WO disclosed
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