SCHEMBL31662238

SCHEMBL31662238

CN1C(=O)Cc2cc(C(N)=O)c(Oc3ccc(OCCOC4CCOCC4)cc3)cc21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
SMYD3 Q9H7B4 1/20 0.32
GAA P10253 2/20 0.32
ALDH1A1 P00352 2/20 0.32
PARP1 P09874 2/20 0.32
IRAK4 Q9NWZ3 2/20 0.32
KAT2B Q92831 1/20 0.32
AOC2 O75106 1/20 0.32
CDC25A P30304 1/20 0.32
CDC25B P30305 1/20 0.32
CDC25C P30307 1/20 0.32
DUSP3 P51452 1/20 0.32
POLB P06746 1/20 0.32
RAB9A P51151 1/20 0.32
HRH3 Q9Y5N1 3/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 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
SCHEMBL31662418 0.84 PARP1 (0.35) ALDH1A1PARP1IRAK4AOC2POLB
SCHEMBL31662165 0.78 IRAK4 (0.37) IRAK4RET
SCHEMBL17899405 0.77 KDM4E (0.40) GAAALDH1A1HRH3MAPTKDM4E
SCHEMBL31662446 0.76 ALDH1A1 (0.35) ALDH1A1POLBLMNAMAPTKMT2A
SCHEMBL31661888 0.76 RET (0.36) IRAK4RET
SCHEMBL31662270 0.76 RET (0.36) IRAK4LMNAKDM4ERET
SCHEMBL17888598 0.75 PARP10 (0.38) ALDH1A1HRH3MAPTKDM4E
SCHEMBL31662399 0.75 CASP3 (0.39) ALDH1A1POLBLMNAMAPTKMT2A
SCHEMBL31662148 0.74 BTK (0.37) IRAK4RAB9AKMT2A
SCHEMBL31661929 0.74 IRAK4 (0.37) IRAK4HRH3RET

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO claimed
WO-2025149545-A1 HETEROARYLPHENYL ETHER DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2025-07-17 WO disclosed