SCHEMBL24801607

SCHEMBL24801607

COc1c(CN)ccc2c1nc(-c1ccc(Cl)cc1-c1nn[nH]n1)n2CCn1c(-c2ccc(Cl)cc2-c2nn[nH]n2)nc2c(OC)c(C(N)=O)ccc21

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NAE1 Q13564 1/20 0.35
PTGER4 P35408 1/20 0.35
XDH P47989 1/20 0.35
IDO1 P14902 2/20 0.35
NR1H4 Q96RI1 1/20 0.35
GPR35 Q9HC97 1/20 0.34
AGTR1 P30556 2/20 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
SCHEMBL23529335 0.94 XDH (0.39) PTGER4XDHIDO1NR1H4GPR35
SCHEMBL23529388 0.91 IDO1 (0.39) PTGER4XDHIDO1NR1H4GPR35
SCHEMBL23529398 0.86 PTGER4 (0.38) PTGER4NR1H4AGTR1
SCHEMBL23529311 0.83 AGTR1 (0.42) AGTR1
SCHEMBL29948116 0.82 GPR35 (0.35) NR1H4GPR35
SCHEMBL23529396 0.82 GPR35 (0.35) NR1H4GPR35
SCHEMBL23552631 0.80 PKN1 (0.34)
SCHEMBL29948157 0.80 PKN1 (0.34)
SCHEMBL23552642 0.80 IDO1 (0.41) PTGER4IDO1
SCHEMBL29948209 0.80 IDO1 (0.41) PTGER4IDO1

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