SCHEMBL31662628

SCHEMBL31662628

NNC(=O)c1cc(Oc2ccc(OCCCO)cc2)n2cncc2c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.36
GAA P10253 1/20 0.34
CHEK2 O96017 2/20 0.34
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 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
XDH P47989 1/20 0.33
TBXAS1 P24557 3/20 0.32
SMN1; SMN2 Q16637 3/20 0.32
LMNA P02545 2/20 0.32
STAT3 P40763 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ALDH1A1 P00352 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
KDM4E B2RXH2 1/20 0.32
TP53 P04637 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
SCHEMBL31662272 0.92 KCNH2 (0.37) KCNH2GAACHEK2MEN1KMT2A
SCHEMBL31662394 0.87 CYP11B2 (0.35) GAACHEK2MEN1KMT2ACHRNB2
SCHEMBL31662623 0.86 MAPT (0.33) KCNH2GAAMEN1KMT2ACHRNB2
SCHEMBL31662464 0.85 MPO (0.41) GAAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL31662398 0.82 BMPR1B (0.34) ALDH1A1NPC1KDM4EHTT
SCHEMBL31662459 0.81 TBXAS1 (0.40) GAACHEK2KMT2ATBXAS1L3MBTL1
SCHEMBL31662594 0.79 MAPT (0.45) GAASMN1; SMN2LMNAL3MBTL1ALDH1A1
SCHEMBL31662252 0.73 TLR8 (0.38) GAAMEN1KMT2ASMN1; SMN2LMNA
SCHEMBL31662424 0.72 PARP10 (0.48) MEN1KMT2AALDH1A1
SCHEMBL31662366 0.71 CA1 (0.42) GAAXDHSMN1; SMN2LMNAL3MBTL1

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