SCHEMBL27433442

SCHEMBL27433442

COc1c(C(N)=O)ccc(NCCCCc2ccc(C(N)=O)c(OC)c2N)c1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.36
PTGER4 P35408 2/20 0.35
METAP2 P50579 1/20 0.34
GAA P10253 2/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 1/20 0.34
MAPT P10636 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NNMT P40261 1/20 0.32
PLK4 O00444 1/20 0.31
CHEK1 O14757 1/20 0.31
DAPK3 O43293 1/20 0.31
PRKD3 O94806 1/20 0.31
MAP4K4 O95819 1/20 0.31
PAK4 O96013 1/20 0.31
ABL1 P00519 1/20 0.31
PRKCG P05129 1/20 0.31
FYN P06241 1/20 0.31
CSF1R P07333 1/20 0.31
LYN P07948 1/20 0.31

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
SCHEMBL25095278 0.85 PTGER4 (0.43) PTGER4GAAKDM4EALDH1A1MAPT
SCHEMBL27433127 0.83 KDM4E (0.40) RPS6KB1PTGER4GAAKDM4EALDH1A1
SCHEMBL30966094 0.83 KDM4E (0.40) RPS6KB1PTGER4GAAKDM4EALDH1A1
SCHEMBL27433147 0.80 PTGER4 (0.39) RPS6KB1PTGER4GAAKDM4EALDH1A1
SCHEMBL29513107 0.80 PTGER4 (0.41) RPS6KB1PTGER4GAAKDM4EALDH1A1
SCHEMBL22909084 0.80 PTGER4 (0.41) RPS6KB1PTGER4GAAKDM4EALDH1A1
SCHEMBL30514827 0.72 NNMT (0.39) NNMTMTNR1A
SCHEMBL23552515 0.71 PTGER4 (0.34) PTGER4KDM4EALDH1A1NNMTPLK4
SCHEMBL24771857 0.71 PTGER4 (0.50) PTGER4GAAKDM4EALDH1A1MAPT
SCHEMBL12970786 0.68 NNMT (0.50) KDM4EALDH1A1MAPTNNMTPOLB

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-2024130341-A1 BENZIMIDAZOLE DERIVATIVES FOR THE MODULATION OF STING Aculeus Therapeutics Pty Ltd (AU) 2024-06-27 WO disclosed