SCHEMBL24801692

SCHEMBL24801692

COc1c(C(N)=O)ccc2c1nc(-c1c(F)cc(Cl)cc1C1=NNNN1)n2CCn1c(-c2c(F)cc(Cl)cc2-c2nn[nH]n2)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 1/20 0.31
ACSS2 Q9NR19 1/20 0.31
F11 P03951 1/20 0.30
NR1H4 Q96RI1 1/20 0.30

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
SCHEMBL23552508 0.94 GPR35 (0.32) GPR35ACSS2
SCHEMBL23529396 0.92 GPR35 (0.35) GPR35ACSS2NR1H4
SCHEMBL29948116 0.92 GPR35 (0.35) GPR35ACSS2NR1H4
SCHEMBL23529314 0.85 GPR35 (0.36) GPR35ACSS2
SCHEMBL29948208 0.85 GPR35 (0.36) GPR35ACSS2
SCHEMBL23552513 0.84 GPR35 (0.31) GPR35ACSS2
SCHEMBL23529398 0.83 PTGER4 (0.38) NR1H4
SCHEMBL23529304 0.81 ACSS2 (0.39) ACSS2
SCHEMBL29948221 0.81 ACSS2 (0.39) ACSS2
SCHEMBL23529388 0.80 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022266711-A1 SUBSTITUTED AMIDOBENZIMIDAZOLE DIMERS AS STING MODULATORS Aculeus Therapeutics Pty Ltd (AU) 2022-12-29 WO disclosed