SCHEMBL4048481

SCHEMBL4048481

O=C1C(=O)C2NC1C(c1ccccc1)=C1C=CC(=N1)C(c1ccccc1)=c1ccc([nH]1)=C(c1ccccc1)C1=NC(=C2c2ccccc2)C=C1

nearest known ligand 0.30

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ GAA P10253 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ HSD17B10 Q99714 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
SCHEMBL4047408 0.82 — —
SCHEMBL9879792 0.81 PDE4B (0.32) KDM4EALDH1A1GAAKMT2A
SCHEMBL10471409 0.79 — —
SCHEMBL31742554 0.77 MMP3 (0.32) —
SCHEMBL7260922 0.77 — —
SCHEMBL10002105 0.76 — —
SCHEMBL6260570 0.76 — —
SCHEMBL8676968 0.76 — —
SCHEMBL9559701 0.74 SLC6A3 (0.30) —
SCHEMBL5064186 0.74 — —

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
EP-2057167-A2 PORPHYRIN DERIVATES AND THEIR USE AS PHOTOSENSITIZERS IN PHOTODYNAMIC THERAPY Humboldt Universität zu Berlin (DE) 2009-05-13 — — EP disclosed
WO-2007104723-A1 PORPHYRIN DERIVATES AND THEIR USE AS PHOTOSENSITIZERS IN PHOTODYNAMIC THERAPY HUMBOLDT-UNIVERSITÄT ZU BERLIN (DE) 2007-09-20 — — WO disclosed
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