SCHEMBL28554190

SCHEMBL28554190

O=[N+]([O-])c1ccc(C2=CC3=CC4=NC(=CC5=NC(=C(c6ccccc6)C6=NC(=C(c7ccccc7)C2=N3)C=C6)C=C5)C=C4)cc1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ KMT2A Q03164 5/20 0.31
▸ MEN1 O00255 2/20 0.31
▸ MAPT P10636 2/20 0.31
▸ NPSR1 Q6W5P4 2/20 0.31
▸ ALDH1A1 P00352 2/20 0.31
▸ OPRK1 P41145 1/20 0.31
▸ PKM P14618 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ NPBWR1 P48145 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ TAAR1 Q96RJ0 2/20 0.30
▸ LMNA P02545 1/20 0.30

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
SCHEMBL28554886 0.97 MAPK1 (0.34) MAPK1POLBKMT2AMEN1MAPT
SCHEMBL28665179 0.92 MAPK1 (0.37) MAPK1POLBKMT2AMEN1MAPT
SCHEMBL28008851 0.88 — —
SCHEMBL28024657 0.86 — —
SCHEMBL27883625 0.84 — —
SCHEMBL28188074 0.84 — —
SCHEMBL27931186 0.84 CYP3A4 (0.31) TAAR1
SCHEMBL28462570 0.84 MMP3 (0.31) —
SCHEMBL8186418 0.82 MAPT (0.38) MAPK1POLBKMT2AMEN1MAPT
SCHEMBL29253195 0.82 ALDH1A1 (0.33) MAPK1ALDH1A1

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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