SCHEMBL8909390

SCHEMBL8909390

O=C(O)c1c2nc(c(O)c3ccc(cc4nc(cc5ccc1[nH]5)C=C4)[nH]3)C=C2

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.42
▸ STAT1 P42224 1/20 0.42
▸ TOP1 P11387 3/20 0.36
▸ CYCS P99999 3/20 0.35
▸ SMAD3 P84022 1/20 0.31

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
SCHEMBL5034725 0.93 STAT3 (0.47) STAT3STAT1TOP1CYCSSMAD3
SCHEMBL3125425 0.89 STAT3 (0.49) STAT3STAT1TOP1CYCSSMAD3
SCHEMBL80002 0.87 STAT3 (0.48) STAT3STAT1TOP1CYCS
SCHEMBL460557 0.83 STAT3 (0.50) STAT3STAT1
SCHEMBL455573 0.83 STAT3 (0.67) STAT3STAT1TOP1CYCS
SCHEMBL351526 0.81 STAT3 (0.43) STAT3STAT1TOP1CYCS
SCHEMBL6092415 0.81 STAT3 (0.43) STAT3STAT1TOP1CYCS
SCHEMBL8977875 0.79 STAT3 (0.69) STAT3STAT1TOP1CYCS
SCHEMBL10523389 0.79 STAT3 (0.36) STAT3STAT1TOP1CYCS
SCHEMBL6014909 0.78 STAT3 (0.36) STAT3STAT1TOP1

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
US-4882234-A TUMOR IMAGING AND PHOTODYNAMIC THERAPY AGENTS HEALUX, INC. (US) 1989-11-21 — — US claimed
EP-0539960-B1 Hematoporphyrin derivatives complex salts and their use in the detection and treatment of neoplasms WOJSKOWA AKAD TECH (PL) 1997-03-05 — — EP disclosed
US-4882234-A TUMOR IMAGING AND PHOTODYNAMIC THERAPY AGENTS HEALUX, INC. (US) 1989-11-21 — — US disclosed
US-4882234-A TUMOR IMAGING AND PHOTODYNAMIC THERAPY AGENTS HEALUX, INC. (US) 1989-11-21 — — US disclosed
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