SCHEMBL8909228

SCHEMBL8909228

O=C(O)Cc1cccc(-c2c3nc(c(-c4cccc(CC(=O)O)c4)c4ccc([nH]4)c(-c4cccc(CC(=O)O)c4)c4nc(c(-c5cccc(CC(=O)O)c5)c5ccc2[nH]5)C=C4)C=C3)c1.[Mn]

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRIN2D O15399 1/20 0.53
▸ GRIN3B O60391 1/20 0.53
▸ GRIN1 Q05586 1/20 0.53
▸ GRIN2A Q12879 1/20 0.53
▸ GRIN2B Q13224 1/20 0.53
▸ GRIN2C Q14957 1/20 0.53
▸ GRIN3A Q8TCU5 1/20 0.53
▸ TOP1 P11387 3/20 0.51
▸ PPARG P37231 2/20 0.51
▸ CYCS P99999 4/20 0.50
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ ENPP2 Q13822 1/20 0.43
▸ CDK2 P24941 1/20 0.42
▸ STAT3 P40763 1/20 0.42

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
SCHEMBL8908003 0.87 FFAR1 (0.51) TOP1PPARGCYCS
SCHEMBL8908306 0.87 TOP1 (0.48) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Hydrochloric Acid SCHEMBL8865260 0.86 TOP1 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8907738 0.84 ABCG2 (0.49) TOP1CYCSHPGDENPP2TERT
SCHEMBL7664820 0.82 TOP1 (0.66) TOP1PPARGCYCSKDM4EMEN1
SCHEMBL1639281 0.81 TOP1 (0.50) TOP1CYCSENPP2STAT3STAT1
SCHEMBL23014689 0.80 TOP1 (0.62) TOP1PPARGCYCSKDM4EMEN1
SCHEMBL8907966 0.80 TOP1 (0.49) TOP1CYCSENPP2STAT3STAT1
SCHEMBL4266268 0.79 TERT (0.46) TOP1CYCSENPP2STAT3STAT1
SCHEMBL4268731 0.79 TERT (0.46) TOP1CYCSENPP2STAT3STAT1

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
EP-0684948-B1 MESO-TETRAPHENYL PORPHYRIN COMPLEX COMPOUNDS, PROCESS FOR PREPARING THE SAME AND PHARMACEUTICALS CONTAINING THE SAME DIAGNOSTIKFORSCHUNG INST (DE) 1997-10-22 — — EP claimed
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