SCHEMBL30159533

SCHEMBL30159533

COc1c(C(N)=O)ccc2c1nc(-c1ccccc1S(N)(=O)=O)n2CCn1c(-c2ccccc2S(N)(=O)=O)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PKN1 Q16512 1/20 0.41
PKN2 Q16513 1/20 0.41
F10 P00742 7/20 0.38
PTGER4 P35408 2/20 0.38
PARP1 P09874 2/20 0.38
CA9 Q16790 4/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
CA5A P35218 1/20 0.37
CA12 O43570 2/20 0.35
P2RX3 P56373 1/20 0.35
IDH1 O75874 1/20 0.35
NNMT P40261 1/20 0.34
HSD11B1 P28845 1/20 0.34

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
SCHEMBL23529352 0.85 PKN1 (0.45) PKN1PKN2PTGER4PARP1
SCHEMBL23552540 0.84 PKN1 (0.47) PKN1PKN2PTGER4PARP1IDH1
SCHEMBL29948181 0.84 PKN1 (0.47) PKN1PKN2PTGER4PARP1IDH1
SCHEMBL29948122 0.81 PKN1 (0.42) PKN1PKN2PTGER4PARP1IDH1
SCHEMBL23552630 0.81 PKN1 (0.42) PKN1PKN2PTGER4PARP1IDH1
SCHEMBL23552535 0.80 PKN1 (0.43) PKN1PKN2PTGER4PARP1IDH1
SCHEMBL29948149 0.80 PKN1 (0.43) PKN1PKN2PTGER4PARP1IDH1
SCHEMBL30042716 0.79 PKN1 (0.45) PKN1PKN2PTGER4PARP1
SCHEMBL23529311 0.79 AGTR1 (0.42)
SCHEMBL24801176 0.78 PKN1 (0.41) PKN1PKN2PTGER4PARP1IDH1

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