SCHEMBL22118895

SCHEMBL22118895

O=CCc1[nH]nc2c(=O)[nH]c(CNCc3ccc(Cl)c(Cl)c3)nc12

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ DAO P14920 1/20 0.37
▸ RNASEH1 O60930 1/20 0.37
▸ PDE5A O76074 1/20 0.36
▸ PDE9A O76083 1/20 0.36
▸ PDE1A P54750 1/20 0.36
▸ PDE1B Q01064 1/20 0.36
▸ PDE1C Q14123 1/20 0.36
▸ PNP P00491 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.34
▸ MARS1 P56192 1/20 0.34
▸ CLPP Q16740 1/20 0.34

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
SCHEMBL22118946 0.84 PARP1 (0.41) PARP1L3MBTL1DAORNASEH1PDE5A
SCHEMBL22118862 0.83 PARP1 (0.40) PARP1L3MBTL1DAORNASEH1PDE5A
SCHEMBL22118835 0.79 TSHR (0.42) PARP1RNASEH1PDE5APDE9APDE1A
SCHEMBL22119321 0.76 PNP (0.40) PARP1L3MBTL1RNASEH1PNPALDH1A1
SCHEMBL22118800 0.73 CLPP (0.46) CLPP
SCHEMBL22118979 0.73 CLPP (0.46) CLPP
SCHEMBL22118843 0.67 ALDH1A1 (0.36) PARP1PNPALDH1A1
SCHEMBL8987672 0.66 L3MBTL1 (0.65) L3MBTL1ALDH1A1
SCHEMBL1780435 0.64 IDO1 (0.54) L3MBTL1ALDH1A1
SCHEMBL6365512 0.62 PDE9A (0.52) DAORNASEH1PDE5APDE9APDE1A

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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