SCHEMBL31662272

SCHEMBL31662272

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.37
APP P05067 5/20 0.36
L3MBTL1 Q9Y468 1/20 0.35
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33
MEN1 O00255 3/20 0.32
KMT2A Q03164 3/20 0.32
USP2 O75604 1/20 0.32
LMNA P02545 1/20 0.32
CYP3A4 P08684 1/20 0.32
MAPK1 P28482 1/20 0.32
CASP1 P29466 1/20 0.32
SLCO1B3 Q9NPD5 1/20 0.32
SLCO1B1 Q9Y6L6 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNB4 P30926 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 0.92 KCNH2 (0.36) KCNH2L3MBTL1ALDH1A1SMN1; SMN2NPC1
SCHEMBL31662623 0.84 MAPT (0.33) KCNH2ALDH1A1SMN1; SMN2NPC1HTT
SCHEMBL31662464 0.84 MPO (0.41) L3MBTL1ALDH1A1SMN1; SMN2NPC1TP53
SCHEMBL31662394 0.83 CYP11B2 (0.35) SMN1; SMN2MEN1KMT2ALMNACHRNB2
SCHEMBL31662398 0.80 BMPR1B (0.34) ALDH1A1NPC1HTTGCK
SCHEMBL31662459 0.77 TBXAS1 (0.40) L3MBTL1ALDH1A1KMT2ACYP3A4CHEK2
SCHEMBL31662594 0.75 MAPT (0.45) L3MBTL1ALDH1A1SMN1; SMN2RAB9ALMNA
SCHEMBL31661943 0.73 L3MBTL1 (0.35) APPL3MBTL1ALDH1A1SMN1; SMN2MEN1
SCHEMBL31662424 0.71 PARP10 (0.48) ALDH1A1MEN1KMT2A
SCHEMBL31662366 0.69 CA1 (0.42) L3MBTL1ALDH1A1SMN1; SMN2HTTRAB9A

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