SCHEMBL34462359

SCHEMBL34462359

CCCCOc1ncc(C(=O)O)c(NCc2ccc(OC)nc2)n1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 6/20 0.43
▸ AGTR2 P50052 6/20 0.43
▸ MAPK8 P45983 1/20 0.41
▸ ADORA2A P29274 1/20 0.41
▸ PDE5A O76074 3/20 0.40
▸ KDM4E B2RXH2 2/20 0.40
▸ ASPH Q12797 1/20 0.40
▸ RIOX2 Q8IUF8 1/20 0.40
▸ KDM8 Q8N371 1/20 0.40
▸ MEN1 O00255 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL34462329 0.88 KDM4E (0.52) AGTR1AGTR2ADORA2AKDM4EASPH
SCHEMBL34462302 0.85 AGTR1 (0.51) AGTR1AGTR2MAPK8MEN1POLB
SCHEMBL34462318 0.84 MERTK (0.47) ADORA2A
SCHEMBL34462354 0.84 AGTR1 (0.47) AGTR1AGTR2MAPK8KDM4EASPH
SCHEMBL34462288 0.84 AGTR1 (0.47) AGTR1AGTR2MAPK8KDM4EASPH
SCHEMBL34462342 0.82 AGTR1 (0.45) AGTR1AGTR2MAPK8KDM4ENPC1
SCHEMBL34462321 0.79 KDM4E (0.54) AGTR1AGTR2ADORA2AKDM4EASPH
SCHEMBL34462311 0.79 AGTR1 (0.43) AGTR1AGTR2MAPK8
SCHEMBL34462353 0.74 SIRT5 (0.52) AGTR1AGTR2PDE5AMEN1POLB
SCHEMBL34462293 0.74 TYRO3 (0.53) KDM4EASPHRIOX2KDM8

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
EP-4724442-A1 AGONISM-ANTAGONISM IN ENDOSOMAL TLRS BY MODULATING CHEMICAL FEATURES IN 8-OXOPURINE: PROCESS FOR PREPARATION AND APPLICATION THEREOF Council of Scientific and Industrial Research (IN) 2026-04-15 — — EP disclosed
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