SCHEMBL16557220

SCHEMBL16557220

CC(C)c1ccc(-c2c3nc(c(-c4ccncc4)c4ccc([nH]4)c(-c4ccncc4)c4nc(c(-c5ccncc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.69

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.69
▸ TERT O14746 5/20 0.50
▸ MAPK13 O15264 2/20 0.48
▸ MAPK12 P53778 2/20 0.48
▸ MAPK11 Q15759 2/20 0.48
▸ MAPK14 Q16539 2/20 0.48
▸ CYCS P99999 3/20 0.48
▸ GCGR P47871 1/20 0.47
▸ ENPP2 Q13822 1/20 0.47
▸ ABCG2 Q9UNQ0 1/20 0.44

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
SCHEMBL9429390 0.92 TERT (0.57) TOP1TERTCYCSENPP2ABCG2
SCHEMBL21577747 0.87 TOP1 (0.54) TOP1TERTMAPK13MAPK12MAPK11
SCHEMBL16557221 0.87 TERT (0.51) TOP1TERTCYCSENPP2ABCG2
SCHEMBL30968084 0.86 TOP1 (0.84) TOP1TERTCYCSENPP2ABCG2
SCHEMBL245937 0.86 TOP1 (0.78) TOP1TERTCYCSENPP2ABCG2
SCHEMBL29961137 0.86 TOP1 (0.78) TOP1TERTCYCSENPP2ABCG2
SCHEMBL16557217 0.85 TERT (0.50) TOP1TERTCYCSENPP2ABCG2
Chloromethane SCHEMBL16146257 0.84 TOP1 (0.71) TOP1TERTCYCSENPP2ABCG2
Magnesium SCHEMBL31258521 0.84 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2
SCHEMBL31315103 0.84 TOP1 (0.76) TOP1TERTCYCSENPP2ABCG2

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-9263194-B2 Porphyrin-peptoid conjugate and the preparation process thereof GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2016-02-16 — — US disclosed
US-20150073122-A1 PORPHYRIN-PEPTOID CONJUGATE AND THE PREPARATION PROCESS THEREOF GWANGJU INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2015-03-12 — — US disclosed
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