SCHEMBL6688602

SCHEMBL6688602

COC(=O)c1ccc(-c2c3nc(c(-c4ccccc4)c4ccc([nH]4)c(-c4ccccc4)c4nc(c(-c5ccccc5)c5ccc2[nH]5)C=C4)C=C3)cc1.[Zn]

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.64
▸ ABCG2 Q9UNQ0 1/20 0.64
▸ CYCS P99999 4/20 0.63
▸ ALDH1A1 P00352 3/20 0.51
▸ KDM4E B2RXH2 1/20 0.51
▸ NPC1 O15118 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ PKM P14618 1/20 0.51
▸ HPGD P15428 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ SMN1; SMN2 Q16637 1/20 0.51
▸ RAF1 P04049 1/20 0.50
▸ MEN1 O00255 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ TNKS O95271 1/20 0.48
▸ ENPP2 Q13822 1/20 0.48
▸ ALDH1A3 P47895 1/20 0.47

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
SCHEMBL30925006 0.99 TOP1 (0.66) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL3788647 0.99 TOP1 (0.66) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL25046485 0.99 TOP1 (0.66) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL29684671 0.97 TOP1 (0.64) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL3892703 0.93 ABCG2 (0.71) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL29583274 0.93 ABCG2 (0.71) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL28463987 0.92 ABCG2 (0.70) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL28498163 0.92 ABCG2 (0.70) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL30872331 0.92 ABCG2 (0.70) TOP1ABCG2CYCSALDH1A1KDM4E
SCHEMBL28491269 0.92 ABCG2 (0.70) TOP1ABCG2CYCSALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004092185-A1 LUMINESCENT LANTHANIDE (III) -CHELATED DENDRITIC COMPLEXES HAVING LIGHT-HARVESTING EFFECT AND THEIR SYNTHETIC METHODS KIM HWAN-KYU (KR) 2004-10-28 — — WO disclosed
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