SCHEMBL29948116

SCHEMBL29948116

COc1c(C(N)=O)ccc2c1nc(-c1c(F)cc(Cl)cc1-c1nn[nH]n1)n2CCn1c(-c2c(F)cc(Cl)cc2-c2nn[nH]n2)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 2/20 0.35
ACSS2 Q9NR19 1/20 0.34
NR1H4 Q96RI1 1/20 0.33
EIF4EBP1 Q13541 1/20 0.33
PARP1 P09874 1/20 0.33
PKN1 Q16512 1/20 0.33
PKN2 Q16513 1/20 0.33

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
SCHEMBL23529396 1.00 GPR35 (0.35) GPR35ACSS2NR1H4EIF4EBP1PARP1
SCHEMBL23529314 0.92 GPR35 (0.36) GPR35ACSS2PARP1PKN1PKN2
SCHEMBL29948208 0.92 GPR35 (0.36) GPR35ACSS2PARP1PKN1PKN2
SCHEMBL24801692 0.92 GPR35 (0.31) GPR35ACSS2NR1H4
SCHEMBL23552513 0.91 GPR35 (0.31) GPR35ACSS2
SCHEMBL23529398 0.90 PTGER4 (0.38) NR1H4
SCHEMBL29948221 0.88 ACSS2 (0.39) ACSS2PARP1PKN1PKN2
SCHEMBL23529304 0.88 ACSS2 (0.39) ACSS2PARP1PKN1PKN2
SCHEMBL23529335 0.87 XDH (0.39) GPR35NR1H4
SCHEMBL23529388 0.87 IDO1 (0.39) GPR35NR1H4

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-4077318-B1 BENZIMIDAZOLE DIMERS AS MODULATORS OF STING CTXT PTY LTD (AU) 2025-10-15 EP claimed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN claimed
EP-4077318-A1 COMPOUNDS CTXT PTY LTD (AU) 2022-10-26 EP claimed
CN-114981265-B Compounds of formula (I) CTXT私人有限公司 2025-01-03 CN 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-114981265-A Compound (I) CTXT私人有限公司 2022-08-30 CN disclosed