SCHEMBL22118835

SCHEMBL22118835

COC(=O)c1[nH]nc2c(=O)[nH]c(CNCc3ccc(Cl)c(Cl)c3)nc12

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.42
▸ RNASEH1 O60930 1/20 0.39
▸ P2RX7 Q99572 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ SMN1; SMN2 Q16637 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

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 0.81 PARP1 (0.41) RNASEH1PARP1PDE5APDE9APDE1A
SCHEMBL22118862 0.79 PARP1 (0.40) RNASEH1PARP1PDE5APDE9APDE1A
SCHEMBL22118895 0.79 PARP1 (0.40) RNASEH1PARP1PDE5APDE9APDE1A
SCHEMBL22119321 0.76 PNP (0.40) RNASEH1PARP1
SCHEMBL22118806 0.67 PDE5A (0.36) RNASEH1PDE5APDE9APDE1APDE1B
SCHEMBL22118843 0.67 ALDH1A1 (0.36) PARP1
SCHEMBL22118847 0.66 PDE5A (0.35) RNASEH1PDE5APDE9APDE1APDE1B
SCHEMBL22118800 0.66 CLPP (0.46) —
SCHEMBL22118979 0.66 CLPP (0.46) —
SCHEMBL22119356 0.65 — —

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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