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SCHEMBL21726085

SCHEMBL21726085

O=C1c2ccc3c4ccc5c6c(cc(/C=C/c7cc8c9c(ccc%10c%11c(/C=C/c%12cc%13c%14c(ccc%15c%16ccc%17c%18c(ccc(c%12c%14%15)c%18%16)C(=O)N(Cl)C%17=O)C(=O)N(Cl)C%13=O)cc%12c%13c(ccc(c7c9%10)c%13%11)C(=O)N(Cl)C%12=O)C(=O)N(Cl)C8=O)c(c7ccc(c2c37)C(=O)N1Cl)c64)C(=O)N(Cl)C5=O

nearest known ligand 0.39

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ TERT O14746 7/20 0.39
▸ STAT3 P40763 1/20 0.34
▸ HIF1A Q16665 1/20 0.34
▸ BCL2 P10415 1/20 0.32

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
SCHEMBL19062417 0.91 TERT (0.33) TERT
SCHEMBL19062681 0.84 TERT (0.45) TERTSTAT3HIF1A
SCHEMBL19062676 0.84 TERT (0.45) TERTSTAT3HIF1A
SCHEMBL19062794 0.77 TERT (0.40) TERTSTAT3HIF1A
SCHEMBL19062416 0.77 TERT (0.40) TERTSTAT3HIF1A
SCHEMBL19052078 0.74 STAT3 (0.50) TERTSTAT3HIF1A
SCHEMBL19052068 0.74 STAT3 (0.50) TERTSTAT3HIF1A
SCHEMBL19062421 0.74 TERT (0.36) TERTSTAT3HIF1A
SCHEMBL21726086 0.72 STAT3 (0.47) TERTSTAT3HIF1A
SCHEMBL19062803 0.72 TERT (0.35) TERTSTAT3HIF1A

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
US-10566539-B2 Organic semiconductor compounds and methods of use THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2020-02-18 — — US disclosed
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