SCHEMBL31662623

SCHEMBL31662623

CC(C)(O)CCOc1ccc(Oc2cc(C(=O)NN)cc3cncn23)cc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.33
GSK3B P49841 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA4 P43681 1/20 0.33
TBXAS1 P24557 2/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
PPARA Q07869 1/20 0.32
HTT P42858 1/20 0.32
CA1 P00915 1/20 0.32

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
SCHEMBL31662628 0.86 KCNH2 (0.36) MAPTMEN1KMT2ACHRNB2CHRNB4
SCHEMBL31662272 0.84 KCNH2 (0.37) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL31662394 0.83 CYP11B2 (0.35) MEN1KMT2ACHRNB2CHRNB4CHRNA3
SCHEMBL31662464 0.82 MPO (0.41) MAPTMEN1KMT2AGAAALDH1A1
SCHEMBL31662398 0.79 BMPR1B (0.34) ALDH1A1KDM4ENPC1HTT
SCHEMBL31662594 0.76 MAPT (0.45) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL31662459 0.75 TBXAS1 (0.40) KMT2ATBXAS1GAAALDH1A1
SCHEMBL31661987 0.75 CYP3A4 (0.33)
SCHEMBL31662366 0.70 CA1 (0.42) MAPTGAAALDH1A1LMNAKDM4E
SCHEMBL31662424 0.69 PARP10 (0.48) MEN1KMT2AALDH1A1

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