SCHEMBL8909383

SCHEMBL8909383

O=C(O)c1c(O)c2cc3nc(cc4ccc(cc5nc(cc1[nH]2)C=C5)[nH]4)C=C3

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ APP P05067 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ RNASEH1 O60930 1/20 0.31
▸ ERCC1 P07992 1/20 0.31
▸ FEN1 P39748 1/20 0.31
▸ ERCC4 Q92889 1/20 0.31
▸ TOP1 P11387 1/20 0.31
▸ SMAD3 P84022 1/20 0.31
▸ CYCS P99999 3/20 0.31
▸ DHODH Q02127 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
SCHEMBL5034718 0.91 STAT3 (0.38) STAT3STAT1TOP1SMAD3CYCS
SCHEMBL10565770 0.90 — —
SCHEMBL455575 0.80 STAT3 (0.49) STAT3STAT1TOP1CYCSDHODH
SCHEMBL29727480 0.80 STAT3 (0.49) STAT3STAT1TOP1CYCSDHODH
SCHEMBL351525 0.80 BRD4 (0.35) STAT3STAT1
SCHEMBL29763206 0.79 STAT3 (0.48) STAT3STAT1TOP1CYCSDHODH
SCHEMBL28680348 0.79 STAT3 (0.48) STAT3STAT1TOP1CYCSDHODH
SCHEMBL31678979 0.79 STAT3 (0.48) STAT3STAT1TOP1CYCSDHODH
Phenol SCHEMBL27336875 0.78 STAT3 (0.42) STAT3STAT1
Hydrogen Peroxide SCHEMBL28310892 0.78 STAT3 (0.43) STAT3STAT1

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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