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SCHEMBL10084843

SCHEMBL10084843

CCCCCCCCCCCc1c2nc(cc3ccc([nH]3)c(-c3cc(OCCC[N+](C)(C)C)cc(OCC[N+](C)(C)C)c3)c3nc(cc4ccc1[nH]4)C=C3)C=C2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.40
▸ STAT1 P42224 1/20 0.40
▸ CCNB2 O95067 1/20 0.30
▸ CDK1 P06493 1/20 0.30
▸ CCNB1 P14635 1/20 0.30
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ CCNB3 Q8WWL7 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
SCHEMBL585880 0.99 STAT3 (0.41) STAT3STAT1CCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL583840 0.98 STAT3 (0.40) STAT3STAT1CCNB2CDK1CCNB1
SCHEMBL585139 0.91 STAT3 (0.41) STAT3STAT1
Hydrochloric Acid SCHEMBL588717 0.90 STAT3 (0.41) STAT3STAT1
SCHEMBL14459908 0.90 STAT3 (0.42) STAT3STAT1
SCHEMBL15693593 0.88 STAT3 (0.40) STAT3STAT1CCNB2CDK1CCNB1
SCHEMBL585368 0.86 STAT3 (0.45) STAT3STAT1CCNB2CDK1CCNB1
SCHEMBL29395084 0.86 STAT3 (0.50) STAT3STAT1
SCHEMBL12066656 0.85 STAT3 (0.48) STAT3STAT1
SCHEMBL28879055 0.85 STAT3 (0.49) 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
EP-1768666-B1 NOVEL USES OF PORPHYRIN COMPOUNDS DESTINY PHARMA LTD (GB) 2012-02-15 — — EP disclosed
EP-1578750-B1 CATIONIC PORPHYRIN DERIVATIVES AS ANTIBACTERIAL AGENTS DESTINY PHARMA LTD (GB) 2007-11-21 — — EP disclosed
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