SCHEMBL3101508

SCHEMBL3101508

O=C(O)Cc1cc(-c2c3nc(c(-c4ccnc(CC(=O)O)c4)c4ccc([nH]4)c(-c4ccnc(CC(=O)O)c4)c4nc(c(-c5ccnc(CC(=O)O)c5)c5ccc2[nH]5)C=C4)C=C3)ccn1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.51
▸ CYCS P99999 4/20 0.50
▸ TERT O14746 5/20 0.44
▸ ENPP2 Q13822 1/20 0.43
▸ ABCG2 Q9UNQ0 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ HSD17B10 Q99714 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
Hydrochloric Acid SCHEMBL4126441 0.99 TOP1 (0.50) TOP1CYCSTERTENPP2ABCG2
SCHEMBL3095138 0.87 TOP1 (0.49) TOP1CYCSTERTENPP2ABCG2
Hydrochloric Acid SCHEMBL4135149 0.86 TOP1 (0.48) TOP1CYCSTERTENPP2ABCG2
Bromide SCHEMBL4135223 0.86 TOP1 (0.48) TOP1CYCSTERTENPP2ABCG2
SCHEMBL6246614 0.83 TERT (0.51) TOP1CYCSTERTENPP2
SCHEMBL9481864 0.81 TERT (0.52) TOP1CYCSTERTENPP2ABCG2
SCHEMBL5190162 0.77 TOP1 (0.44) TOP1CYCSTERTENPP2ABCG2
SCHEMBL8909228 0.76 GRIN2D (0.53) TOP1CYCSTERTENPP2ABCG2
SCHEMBL7664820 0.76 TOP1 (0.66) TOP1CYCSTERTENPP2ABCG2
SCHEMBL3095159 0.74 TOP1 (0.49) TOP1CYCSTERTENPP2ABCG2

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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