SCHEMBL23529360

SCHEMBL23529360

COc1c(C(N)=O)ccc(NCCNc2ccc(C(N)=O)c(OC)c2[N+](=O)[O-])c1[N+](=O)[O-]

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
KDM4E B2RXH2 1/20 0.44
CTDSP1 Q9GZU7 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
PKM P14618 3/20 0.43
KAT2B Q92831 1/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
ALDH1A1 P00352 2/20 0.39
MITF O75030 1/20 0.39
HCAR3 P49019 1/20 0.39
MAPT P10636 4/20 0.39
KMT2A Q03164 4/20 0.39
LMNA P02545 2/20 0.39
GAA P10253 2/20 0.39
NPC1 O15118 1/20 0.39
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.37
CRHBP P24387 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
SCHEMBL23529316 0.88 PKM (0.52) PKMKAT2BRAB9ASMN1; SMN2ALDH1A1
SCHEMBL23529305 0.88 SMN1; SMN2 (0.48) POLBKDM4EPKMKAT2BRAB9A
SCHEMBL29513061 0.83 PKM (0.48) PKMKAT2BSMN1; SMN2ALDH1A1HCAR3
Hydrochloric Acid SCHEMBL28938162 0.82 KAT2B (0.43) POLBL3MBTL1KDM4ECTDSP1TDP1
SCHEMBL10741391 0.80 TDP1 (0.64) POLBL3MBTL1KDM4ECTDSP1TDP1
SCHEMBL22909084 0.79 PTGER4 (0.41) POLBKDM4EPKMALDH1A1KMT2A
SCHEMBL29513107 0.79 PTGER4 (0.41) POLBKDM4EPKMALDH1A1KMT2A
SCHEMBL28721697 0.77 MALT1 (0.39) PKMRAB9ASMN1; SMN2MAPTKMT2A
SCHEMBL29513052 0.76 PKM (0.41) POLBPKMKAT2BSMN1; SMN2ALDH1A1
SCHEMBL23529328 0.75 PKM (0.39) POLBL3MBTL1KDM4ECTDSP1TDP1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4638460-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2025-10-29 EP disclosed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN disclosed
WO-2024130341-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2024-06-27 WO disclosed
WO-2022266711-A1 SUBSTITUTED AMIDOBENZIMIDAZOLE DIMERS AS STING MODULATORS Aculeus Therapeutics Pty Ltd (AU) 2022-12-29 WO disclosed
EP-4077318-A1 COMPOUNDS CTXT PTY LTD (AU) 2022-10-26 EP disclosed
CN-114206882-A Benzothiophene, thienopyridine, and thienopyrimidine derivatives for modulation of STING CTXT私人有限公司 2022-03-18 CN disclosed
WO-2021119753-A1 COMPOUNDS CTXT PTY LIMITED (AU) 2021-06-24 WO disclosed