SCHEMBL9984075

SCHEMBL9984075

Oc1ccc(Br)c(-c2c3nc(cc4ccc(cc5nc(cc6ccc2[nH]6)C=C5)[nH]4)C=C3)c1

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.48
▸ STAT1 P42224 1/20 0.48
▸ CA2 P00918 1/20 0.30
▸ FLT3 P36888 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
SCHEMBL4257881 0.97 STAT3 (0.50) STAT3STAT1CA2FLT3
SCHEMBL12072531 0.86 STAT3 (0.41) STAT3STAT1
SCHEMBL9985109 0.85 STAT3 (0.48) STAT3STAT1
SCHEMBL4266180 0.83 TOP1 (0.41) CA2
SCHEMBL12071037 0.82 STAT3 (0.50) STAT3STAT1
SCHEMBL9984084 0.82 STAT3 (0.32) STAT3STAT1CA2
SCHEMBL3352961 0.81 STAT3 (0.64) STAT3STAT1
SCHEMBL29403134 0.81 STAT3 (0.64) STAT3STAT1
SCHEMBL29402399 0.80 STAT3 (0.63) STAT3STAT1
SCHEMBL28459011 0.80 STAT3 (0.63) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011161065-A1 MACROCYCLIC TETRAPYRROLIC COMPOUND OF THE FAMILY OF PORPHYRINS, CHLORINS AND BACTERIOCHLORINS AS PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY FUNDAÇÃO PADRE ANTONIO VIEIRA (PT) 2011-12-29 — — WO claimed
WO-2011161065-A1 MACROCYCLIC TETRAPYRROLIC COMPOUND OF THE FAMILY OF PORPHYRINS, CHLORINS AND BACTERIOCHLORINS AS PHOTOSENSITIZERS FOR PHOTODYNAMIC THERAPY FUNDAÇÃO PADRE ANTONIO VIEIRA (PT) 2011-12-29 — — WO disclosed
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