SCHEMBL28566541

SCHEMBL28566541

O=[N+]([O-])c1ccc(C2=C3C=CC(=N3)C(c3ccccc3)=C3C=CC(=N3)C(c3ccccc3)=C3C=CC(=N3)C(c3ccc(O)cc3)=C3C=CC2=N3)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ELANE P08246 1/20 0.49
▸ MAPK1 P28482 2/20 0.46
▸ POLB P06746 1/20 0.46
▸ KMT2A Q03164 5/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ MAPT P10636 3/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ NPBWR1 P48145 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ LMNA P02545 1/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.39
▸ CES2 O00748 1/20 0.39
▸ CES1 P23141 1/20 0.39
▸ RAD51 Q06609 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CRHBP P24387 1/20 0.38

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
SCHEMBL28796563 0.94 NPBWR1 (0.44) ELANEMAPK1POLBKMT2AMEN1
SCHEMBL8355907 0.93 MAPK1 (0.47) MAPK1POLBKMT2AMEN1MAPT
SCHEMBL10587139 0.93 MAPK1 (0.47) MAPK1POLBKMT2AMEN1MAPT
SCHEMBL26097426 0.87 APP (0.43) MAPK1POLBKMT2AMEN1MAPT
SCHEMBL28565652 0.86 ALDH1A1 (0.49) MAPK1POLBKMT2AMEN1MAPT
SCHEMBL28049798 0.85 MMP3 (0.50) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL6292615 0.85 MMP3 (0.50) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL28865295 0.84 MMP3 (0.48) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL8179946 0.84 MMP3 (0.48) KMT2AMEN1MAPTTDP1RAB9A
SCHEMBL28436561 0.84 MMP3 (0.48) KMT2AMEN1MAPTTDP1RAB9A

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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