SCHEMBL17681579

SCHEMBL17681579

CCCCCCCCCCCCCc1c2nc(c(-c3cccc(OC)c3)c3ccc([nH]3)c(CCCCCCCCCCCCC)c3nc(c(-c4cccc(OC)c4)c4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ GCGR P47871 1/20 0.51
▸ TLR8 Q9NR97 1/20 0.40
▸ CCNB2 O95067 1/20 0.40
▸ CDK1 P06493 1/20 0.40
▸ CCNB1 P14635 1/20 0.40
▸ GSK3A P49840 1/20 0.40
▸ GSK3B P49841 1/20 0.40
▸ CCNB3 Q8WWL7 1/20 0.40
▸ GHSR Q92847 1/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ FPR1 P21462 1/20 0.39
▸ TERT O14746 2/20 0.38
▸ GRIN1 Q05586 1/20 0.38
▸ GRIN2A Q12879 1/20 0.38
▸ ABCG2 Q9UNQ0 1/20 0.37
▸ CNR1 P21554 1/20 0.37
▸ CNR2 P34972 1/20 0.37

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
SCHEMBL585041 0.92 STAT3 (0.46) GCGRTLR8CCNB2CDK1CCNB1
SCHEMBL17681581 0.87 CCNB2 (0.50) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL17681577 0.87 CCNB2 (0.50) CCNB2CDK1CCNB1GSK3AGSK3B
SCHEMBL2313950 0.85 GCGR (0.50) GCGRTERTABCG2
SCHEMBL2337728 0.85 GCGR (0.50) GCGRTERTABCG2
SCHEMBL2313946 0.85 GCGR (0.50) GCGRTERTABCG2
SCHEMBL2316794 0.85 GCGR (0.50) GCGRTERTABCG2
SCHEMBL30081962 0.84 TERT (0.49) TERTABCG2
SCHEMBL433807 0.84 TERT (0.49) TERTABCG2
SCHEMBL9231247 0.83 TERT (0.48) GCGRTERTABCG2

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
US-9315510-B2 Method and application of unsymmetrically meso-substituted porphyrins and chlorins for PDT BIOLITEC PHARMA MARKETING LTD (MY) 2016-04-19 — — US claimed
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