SCHEMBL8572426

SCHEMBL8572426

O=C(O)CCC(=O)Nc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.53
▸ CYCS P99999 3/20 0.52
▸ PKM P14618 1/20 0.50
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ CYP1A2 P05177 2/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ CYP3A4 P08684 1/20 0.47
▸ CYP2D6 P10635 1/20 0.47
▸ CYP2C9 P11712 1/20 0.47
▸ HSD17B1 P14061 1/20 0.47
▸ CYP2C19 P33261 1/20 0.47
▸ HSD17B2 P37059 1/20 0.47
▸ CYP1A1 P04798 1/20 0.46
▸ ABCG2 Q9UNQ0 1/20 0.46

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
SCHEMBL16912677 0.87 TOP1 (0.54) TOP1CYCSMEN1MAPTKMT2A
SCHEMBL16923748 0.87 ALDH1A1 (0.55) TOP1CYCSMEN1MAPTKMT2A
SCHEMBL16920374 0.84 SMN1; SMN2 (0.54) TOP1CYCSABCG2
SCHEMBL9018611 0.82 TOP1 (0.52) TOP1CYCSL3MBTL1MEN1KMT2A
SCHEMBL2403632 0.80 TOP1 (0.54) TOP1CYCSMAPTABCG2
SCHEMBL13609844 0.79 TOP1 (0.53) TOP1CYCSMEN1MAPTKMT2A
SCHEMBL16923657 0.79 MEN1 (0.53) TOP1CYCSMEN1KMT2A
SCHEMBL9287004 0.77 TOP1 (0.53) TOP1CYCSABCG2
SCHEMBL2125691 0.77 JAK3 (0.53) TOP1CYCSL3MBTL1MEN1MAPT
SCHEMBL8994447 0.77 TOP1 (0.60) TOP1CYCSL3MBTL1MEN1MAPT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5853713-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1998-12-29 — — US disclosed
US-5618528-A Biologically compatible linear block copolymers of polyalkylene oxide and peptide units STERLING WINTHROP INC. (US) 1997-04-08 — — US disclosed
EP-0748226-A1 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1996-12-18 — — EP disclosed
WO-1995022991-A2 BLOCK COPOLYMERS NYCOMED IMAGING AS (NO) 1995-08-31 — — WO disclosed
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