SCHEMBL22118923

SCHEMBL22118923

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

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 1/20 0.35
▸ PDE9A O76083 1/20 0.35
▸ PDE1A P54750 1/20 0.35
▸ PDE1B Q01064 1/20 0.35
▸ PDE1C Q14123 1/20 0.35
▸ RNASEH1 O60930 1/20 0.33
▸ PNP P00491 1/20 0.32
▸ S100A9 P06702 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
SCHEMBL22118806 0.91 PDE5A (0.36) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL22118847 0.90 PDE5A (0.35) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL22118905 0.88 CTSL (0.35) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL22118854 0.84 RNASEH1 (0.34) RNASEH1PNP
SCHEMBL22118836 0.81 PDE9A (0.37) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL22118859 0.79 RNASEH1 (0.33) RNASEH1PNP
SCHEMBL22119381 0.79 RNASEH1 (0.34) RNASEH1PNP
SCHEMBL22118946 0.78 PARP1 (0.41) PDE5APDE9APDE1APDE1BPDE1C
SCHEMBL22118809 0.77 RNASEH1 (0.33) RNASEH1PNP
SCHEMBL22118821 0.76 MAPT (0.34) RNASEH1PNP

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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