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SCHEMBL9018604

SCHEMBL9018604

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

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 4/20 0.52
▸ CYCS P99999 4/20 0.51
▸ ABCG2 Q9UNQ0 1/20 0.47
▸ ENPP2 Q13822 1/20 0.44
▸ TERT O14746 4/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ STAT3 P40763 1/20 0.41
▸ STAT1 P42224 1/20 0.41
▸ ITGB1 P05556 1/20 0.38
▸ ITGA4 P13612 1/20 0.38

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
SCHEMBL16920363 0.81 TOP1 (0.50) TOP1CYCSABCG2ENPP2TERT
SCHEMBL16923748 0.81 ALDH1A1 (0.55) TOP1CYCSABCG2ENPP2TERT
SCHEMBL16920374 0.78 SMN1; SMN2 (0.54) TOP1CYCSABCG2ALDH1A1
Acetic Acid SCHEMBL9639956 0.78 TOP1 (0.67) TOP1CYCSABCG2ENPP2TERT
SCHEMBL19888946 0.78 TOP1 (0.43) TOP1CYCSABCG2ENPP2TERT
SCHEMBL16552330 0.77 TOP1 (0.54) TOP1CYCSABCG2ENPP2TERT
SCHEMBL5013660 0.77 TOP1 (0.56) TOP1CYCSABCG2ENPP2TERT
SCHEMBL28762772 0.76 TOP1 (0.62) TOP1CYCSENPP2TERTSTAT3
SCHEMBL16912677 0.76 TOP1 (0.54) TOP1CYCSABCG2ENPP2TERT
SCHEMBL13609844 0.75 TOP1 (0.53) 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
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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