SCHEMBL34462288

SCHEMBL34462288

CCCCOc1ncc(C(=O)O)c(NCc2ccc(Br)cc2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 9/20 0.47
▸ AGTR2 P50052 9/20 0.47
▸ MAPK8 P45983 2/20 0.43
▸ KDM4C Q9H3R0 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ ASPH Q12797 1/20 0.39
▸ RIOX2 Q8IUF8 1/20 0.39
▸ KDM8 Q8N371 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ POLB P06746 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ MAPK1 P28482 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
SCHEMBL34462302 0.90 AGTR1 (0.51) AGTR1AGTR2MAPK8ALDH1A1SMN1; SMN2
SCHEMBL34462329 0.89 KDM4E (0.52) AGTR1AGTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL34462354 0.89 AGTR1 (0.47) AGTR1AGTR2MAPK8KDM4EALDH1A1
SCHEMBL34462342 0.87 AGTR1 (0.45) AGTR1AGTR2MAPK8KDM4EALDH1A1
SCHEMBL34462359 0.84 AGTR1 (0.43) AGTR1AGTR2MAPK8KDM4EALDH1A1
SCHEMBL34462311 0.83 AGTR1 (0.43) AGTR1AGTR2MAPK8
SCHEMBL34462321 0.80 KDM4E (0.54) AGTR1AGTR2KDM4EALDH1A1SMN1; SMN2
SCHEMBL34462293 0.74 TYRO3 (0.53) KDM4EASPHRIOX2KDM8
SCHEMBL27870476 0.72 ALDH1A1 (0.49) KDM4EALDH1A1SMN1; SMN2MEN1LMNA
SCHEMBL4765629 0.71 NPC1 (0.63) MAPK8KDM4EALDH1A1SMN1; SMN2NPC1

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
Send feedback