SCHEMBL9018611

SCHEMBL9018611

O=C(O)CCCNc1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.52
▸ CYCS P99999 4/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.45
▸ ENPP2 Q13822 1/20 0.44
▸ FFAR1 O14842 2/20 0.43
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ GFER P55789 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TERT O14746 1/20 0.40
▸ FFAR4 Q5NUL3 1/20 0.39

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
SCHEMBL8572426 0.82 TOP1 (0.53) TOP1CYCSABCG2MEN1KMT2A
SCHEMBL10897459 0.80 TOP1 (0.53) TOP1CYCSABCG2ENPP2FFAR1
SCHEMBL5013766 0.79 TERT (0.50) TOP1CYCSABCG2ENPP2TERT
SCHEMBL16912677 0.76 TOP1 (0.54) TOP1CYCSABCG2ENPP2STAT3
SCHEMBL16923748 0.76 ALDH1A1 (0.55) TOP1CYCSABCG2ENPP2MEN1
Acetic Acid SCHEMBL9639956 0.75 TOP1 (0.67) TOP1CYCSABCG2ENPP2STAT3
SCHEMBL30180821 0.75 TOP1 (0.57) TOP1CYCSENPP2STAT3STAT1
SCHEMBL30136 0.75 TOP1 (0.64) TOP1CYCSENPP2STAT3STAT1
SCHEMBL29405434 0.75 TOP1 (0.64) TOP1CYCSENPP2STAT3STAT1
SCHEMBL9018604 0.74 TOP1 (0.52) TOP1CYCSABCG2ENPP2STAT3

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
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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