SCHEMBL23529316

SCHEMBL23529316

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.52
KMT2A Q03164 3/20 0.46
HCAR3 P49019 4/20 0.45
MAPT P10636 5/20 0.42
AKR1C3 P42330 3/20 0.41
AKR1C2 P52895 3/20 0.41
CTSV O60911 1/20 0.41
CTSL P07711 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
LMNA P02545 3/20 0.41
NPC1 O15118 2/20 0.41
CDK2 P24941 2/20 0.41
MEN1 O00255 1/20 0.41
TRPA1 O75762 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
THPO P40225 1/20 0.41

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
SCHEMBL29513061 0.92 PKM (0.48) PKMKMT2AHCAR3MAPTAKR1C3
SCHEMBL23529305 0.89 SMN1; SMN2 (0.48) PKMKMT2AHCAR3MAPTSMN1; SMN2
SCHEMBL23529360 0.88 POLB (0.44) PKMKMT2AHCAR3MAPTSMN1; SMN2
SCHEMBL29513052 0.87 PKM (0.41) PKMKMT2AHCAR3MAPTAKR1C3
Hydrochloric Acid SCHEMBL28938162 0.81 KAT2B (0.43) PKMKMT2AHCAR3MAPTSMN1; SMN2
SCHEMBL7847617 0.79 PKM (0.65) PKMKMT2AMAPTAKR1C3AKR1C2
SCHEMBL29046043 0.78 PKM (0.55) PKMKMT2AMAPTAKR1C3AKR1C2
SCHEMBL5153669 0.78 PKM (0.55) PKMKMT2AMAPTAKR1C3AKR1C2
SCHEMBL28721697 0.78 MALT1 (0.39) PKMKMT2AMAPTSMN1; SMN2LMNA
SCHEMBL4298104 0.77 PKM (0.54) PKMKMT2AMAPTAKR1C3AKR1C2

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