SCHEMBL22118907

SCHEMBL22118907

O=c1[nH]c(C[C@@H](NCc2ccc(Cl)c(Cl)c2)OC2CCSCC2)nc2c[nH]nc12

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.31
▸ PNP P00491 1/20 0.31
▸ FOXO1 Q12778 1/20 0.31
▸ RNASEH1 O60930 1/20 0.30
▸ CLPP Q16740 1/20 0.30
▸ PTGES O14684 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
SCHEMBL22118872 0.85 TSHR (0.36) ALDH1A1PNPFOXO1RNASEH1
SCHEMBL22118854 0.80 RNASEH1 (0.34) PNPRNASEH1
SCHEMBL22119381 0.80 RNASEH1 (0.34) PNPRNASEH1
SCHEMBL22118782 0.79 RNASEH1 (0.33) ALDH1A1PNPRNASEH1
SCHEMBL22118859 0.79 RNASEH1 (0.33) PNPRNASEH1
SCHEMBL22118865 0.77 PNP (0.33) PNP
Hydrochloric Acid SCHEMBL22119087 0.77 PNP (0.32) PNPRNASEH1
SCHEMBL22118896 0.77 PNP (0.31) PNPRNASEH1CLPP
SCHEMBL22118943 0.75 PTGES (0.35) ALDH1A1PNPCLPPPTGES
SCHEMBL22119321 0.75 PNP (0.40) ALDH1A1PNPRNASEH1

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-3897645-A1 DNA POLYMERASE IIIC INHIBITORS AND USE THEREOF Acurx Pharmaceuticals, LLC (US) 2021-10-27 — — EP disclosed
WO-2020132174-A1 DNA POLYMERASE IIIC INHIBITORS AND USE THEREOF ACURX PHARMACEUTICALS, LLC (US) 2020-06-25 — — WO disclosed
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