SCHEMBL28554189

SCHEMBL28554189

O=[N+]([O-])c1ccc(-c2cc3cc4nc(cc5ccc([nH]5)c(-c5ccccc5)c5nc(c(-c6ccccc6)c2[nH]3)C=C5)C=C4)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.54
▸ STAT1 P42224 1/20 0.54
▸ CYP19A1 P11511 2/20 0.39
▸ NPBWR1 P48145 2/20 0.39
▸ MAPT P10636 5/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ RAB9A P51151 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ MMP2 P08253 2/20 0.37
▸ MMP9 P14780 2/20 0.37
▸ MMP8 P22894 2/20 0.37
▸ IDO1 P14902 1/20 0.36
▸ TOP1 P11387 1/20 0.36
▸ TDP1 Q9NUW8 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ ALOX12 P18054 1/20 0.36
▸ KMT2A Q03164 1/20 0.36

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
SCHEMBL28554885 0.97 STAT3 (0.57) STAT3STAT1CYP19A1NPBWR1MAPT
SCHEMBL28008850 0.89 STAT3 (0.67) STAT3STAT1TOP1CYCSENPP2
SCHEMBL28188073 0.86 STAT3 (0.72) STAT3STAT1TOP1CYCSENPP2
SCHEMBL28402436 0.85 STAT3 (0.59) STAT3STAT1MAPTNPC1RAB9A
SCHEMBL28462569 0.85 STAT3 (0.59) STAT3STAT1TOP1CYCSENPP2
SCHEMBL4544258 0.84 STAT3 (0.57) STAT3STAT1CYP19A1NPBWR1MAPT
SCHEMBL28024655 0.82 STAT3 (0.62) STAT3STAT1TOP1CYCSENPP2
SCHEMBL29904993 0.82 STAT3 (0.62) STAT3STAT1TOP1CYCSENPP2
SCHEMBL28406752 0.82 STAT3 (0.63) STAT3STAT1MAPTTOP1CYCS
SCHEMBL29253192 0.82 STAT3 (0.63) STAT3STAT1CYP19A1MAPTTOP1

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 4 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
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
CN-108715591-B Near infrared absorbing porphyrin compounds as photosensitizers and uses thereof 华东理工大学 2021-04-13 — — CN disclosed
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