SCHEMBL28566539

SCHEMBL28566539

O=[N+]([O-])c1ccc(-c2c3nc(c(-c4ccc(O)cc4)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 19)

geneUniProtsupporting neighboursconfidence
▸ TOP1 P11387 3/20 0.52
▸ CYCS P99999 3/20 0.51
▸ ENPP2 Q13822 1/20 0.50
▸ FASN P49327 1/20 0.47
▸ CYP19A1 P11511 1/20 0.47
▸ ELANE P08246 1/20 0.46
▸ NPBWR1 P48145 2/20 0.46
▸ MAPT P10636 1/20 0.45
▸ MMP2 P08253 1/20 0.44
▸ MMP9 P14780 1/20 0.44
▸ MMP8 P22894 1/20 0.44
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ STAT3 P40763 1/20 0.43
▸ STAT1 P42224 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RECQL P46063 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL28796561 0.95 ENPP2 (0.55) TOP1CYCSENPP2NPBWR1MAPT
SCHEMBL29400418 0.95 ENPP2 (0.55) TOP1CYCSENPP2NPBWR1MAPT
SCHEMBL29402717 0.94 ENPP2 (0.53) TOP1CYCSENPP2NPBWR1MAPT
SCHEMBL29403163 0.94 ENPP2 (0.53) TOP1CYCSENPP2NPBWR1MAPT
SCHEMBL10587131 0.94 TOP1 (0.55) TOP1CYCSENPP2FASNCYP19A1
SCHEMBL31154457 0.94 TOP1 (0.55) TOP1CYCSENPP2FASNCYP19A1
SCHEMBL30556440 0.94 TOP1 (0.55) TOP1CYCSENPP2FASNCYP19A1
SCHEMBL15134783 0.94 TOP1 (0.55) TOP1CYCSENPP2FASNCYP19A1
SCHEMBL8355904 0.94 TOP1 (0.55) TOP1CYCSENPP2FASNCYP19A1
SCHEMBL15134782 0.94 TOP1 (0.55) TOP1CYCSENPP2FASNCYP19A1

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
CN-108047234-B Amino and hydroxyl substituted porphyrin fluorescent matrix and preparation method thereof 湖南科技大学 2021-05-07 — — CN claimed
CN-108047234-B Amino and hydroxyl substituted porphyrin fluorescent matrix and preparation method thereof 湖南科技大学 2021-05-07 — — CN disclosed
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