SCHEMBL5533945

SCHEMBL5533945

C1=Cc2cc3ccc([nH]3)c(CCc3c4nc(cc5ccc(cc6nc(cc7ccc3[nH]7)C=C6)[nH]5)C=C4)c3nc(cc4ccc(cc1n2)[nH]4)C=C3

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ STAT3 P40763 1/20 0.49
▸ STAT1 P42224 1/20 0.49

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
SCHEMBL1944649 0.91 STAT3 (0.45) STAT3STAT1
SCHEMBL5585185 0.91 STAT3 (0.45) STAT3STAT1
SCHEMBL4429826 0.91 STAT3 (0.45) STAT3STAT1
SCHEMBL14867477 0.90 STAT3 (0.49) STAT3STAT1
SCHEMBL3527775 0.89 STAT3 (0.43) STAT3STAT1
SCHEMBL1945830 0.88 STAT3 (0.47) STAT3STAT1
SCHEMBL4410064 0.88 STAT3 (0.47) STAT3STAT1
SCHEMBL8172533 0.88 STAT3 (0.47) STAT3STAT1
SCHEMBL460386 0.88 STAT3 (0.47) STAT3STAT1
SCHEMBL144247 0.88 STAT3 (0.47) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1480032-B1 REAGENT FOR DETERMINING THE ABSOLUTE CONFIGURATION OF CHIRAL COMPOUND AND DETERMINATION METHOD JAPAN SCIENCE & TECH AGENCY (JP) 2007-09-05 — — EP disclosed
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