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SCHEMBL3095159

SCHEMBL3095159

CC(C(=O)O)c1cc(-c2c3nc(c(-c4ccnc(C(C)C(=O)O)c4)c4ccc([nH]4)c(-c4ccnc(C(C)C(=O)O)c4)c4nc(c(-c5ccnc(C(C)C(=O)O)c5)c5ccc2[nH]5)C=C4)C=C3)ccn1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.49
▸ CYCS P99999 4/20 0.48
▸ ABCG2 Q9UNQ0 1/20 0.42
▸ ENPP2 Q13822 1/20 0.41
▸ TERT O14746 5/20 0.41
▸ PTGS2 P35354 1/20 0.36

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
Hydrochloric Acid SCHEMBL4135139 0.99 TOP1 (0.48) TOP1CYCSABCG2ENPP2TERT
Bromide SCHEMBL4135217 0.99 TOP1 (0.48) TOP1CYCSABCG2ENPP2TERT
SCHEMBL3101508 0.74 TOP1 (0.51) TOP1CYCSABCG2ENPP2TERT
SCHEMBL6243482 0.74 TERT (0.50) TOP1CYCSABCG2ENPP2TERT
SCHEMBL3095138 0.72 TOP1 (0.49) TOP1CYCSABCG2ENPP2TERT
Bromide SCHEMBL4135223 0.72 TOP1 (0.48) TOP1CYCSABCG2ENPP2TERT
SCHEMBL6246614 0.70 TERT (0.51) TOP1CYCSENPP2TERT
SCHEMBL6239906 0.69 TERT (0.47) TOP1CYCSABCG2ENPP2TERT
Acetic Acid SCHEMBL9639956 0.69 TOP1 (0.67) TOP1CYCSABCG2ENPP2TERT
SCHEMBL8865525 0.69 TOP1 (0.58) TOP1CYCSABCG2ENPP2TERT

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-7799568-B2 Authentication of products using molecularly imprinted polymers THE JOHNS HOPKINS UNIVERSITY (US) 2010-09-21 — — US disclosed
US-5271764-A Ink compositions XEROX CORPORATION (US) 1993-12-21 — — US disclosed
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