SCHEMBL22118943

SCHEMBL22118943

O=c1[nH]c(C[C@@H](NCc2ccc(Cl)c(Cl)c2)N2CCOCC2)nc2c[nH]nc12

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ PTGES O14684 1/20 0.35
▸ CLPP Q16740 2/20 0.35
▸ PIK3CB P42338 2/20 0.33
▸ PIK3CA P42336 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ PIK3CD O00329 1/20 0.33
▸ PNP P00491 1/20 0.32
▸ SIGMAR1 Q99720 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
SCHEMBL22119100 0.83 AURKB (0.39) CLPPALDH1A1SIGMAR1
SCHEMBL22118872 0.80 TSHR (0.36) KMT2AALDH1A1PNP
SCHEMBL22119381 0.77 RNASEH1 (0.34) PNP
SCHEMBL22118854 0.77 RNASEH1 (0.34) PNP
SCHEMBL22118878 0.77 SIGMAR1 (0.39) CLPPALDH1A1SIGMAR1
SCHEMBL22119321 0.77 PNP (0.40) ALDH1A1PNP
SCHEMBL22118853 0.76 SLC6A2 (0.34) KMT2AALDH1A1
SCHEMBL22119310 0.76 RNASEH1 (0.34) ALDH1A1PNP
SCHEMBL22118859 0.75 RNASEH1 (0.33) PNP
SCHEMBL22118888 0.75 RNASEH1 (0.38) —

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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