SCHEMBL22119321

SCHEMBL22119321

O=c1[nH]c(CNCc2ccc(Cl)c(Cl)c2)nc2c[nH]nc12

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PNP P00491 1/20 0.40
▸ PARP1 P09874 1/20 0.39
▸ RNASEH1 O60930 1/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ CSNK2A2 P19784 1/20 0.38
▸ CSNK2B P67870 1/20 0.38
▸ CSNK2A1 P68400 1/20 0.38
▸ CSNK2A3 Q8NEV1 1/20 0.38
▸ S100A9 P06702 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL22118843 0.90 ALDH1A1 (0.36) PNPPARP1ALDH1A1CSNK2A2CSNK2B
SCHEMBL22118872 0.81 TSHR (0.36) PNPRNASEH1ALDH1A1
SCHEMBL22118888 0.80 RNASEH1 (0.38) RNASEH1
SCHEMBL22118946 0.78 PARP1 (0.41) PNPPARP1RNASEH1ALDH1A1S100A9
SCHEMBL22119381 0.78 RNASEH1 (0.34) PNPRNASEH1
SCHEMBL22118854 0.78 RNASEH1 (0.34) PNPRNASEH1
SCHEMBL22119310 0.77 RNASEH1 (0.34) PNPRNASEH1ALDH1A1
SCHEMBL22118895 0.76 PARP1 (0.40) PNPPARP1RNASEH1ALDH1A1L3MBTL1
SCHEMBL22118862 0.76 PARP1 (0.40) PNPPARP1RNASEH1L3MBTL1
SCHEMBL22118823 0.71 KDM4E (0.42) ALDH1A1

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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