SCHEMBL31662398

SCHEMBL31662398

NNC(=O)c1cc(Oc2ccc(OCCOC3CCOCC3)cc2)n2cncc2c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BMPR1B O00238 1/20 0.34
BMPR1A P36894 1/20 0.34
TGFBR1 P36897 1/20 0.34
ACVRL1 P37023 1/20 0.34
ACVR1 Q04771 1/20 0.34
GCK P35557 3/20 0.33
HTT P42858 1/20 0.33
HPGDS O60760 1/20 0.31
ABL1 P00519 1/20 0.31
CPT2 P23786 1/20 0.31
CPT1A P50416 1/20 0.31
TTK P33981 1/20 0.31
EED O75530 1/20 0.31
RBBP4 Q09028 1/20 0.31
SUZ12 Q15022 1/20 0.31
EZH2 Q15910 1/20 0.31
AEBP2 Q6ZN18 1/20 0.31
NPC1 O15118 1/20 0.31
CYP11B2 P19099 1/20 0.31
LRRK2 Q5S007 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
SCHEMBL31662082 0.91 TBXAS1 (0.34) CPT2CPT1ACYP11B2KDM4EALDH1A1
SCHEMBL31662277 0.89 MAPT (0.38) HTTHPGDSKDM4EALDH1A1
SCHEMBL31661914 0.86 CPT1A (0.34) CPT2CPT1ACYP11B2ACACB
SCHEMBL31662141 0.86 CPT1A (0.34) CPT2CPT1ACYP11B2ACACB
SCHEMBL31661907 0.86 CPT1A (0.34) CPT2CPT1ACYP11B2ACACB
SCHEMBL31662628 0.82 KCNH2 (0.36) HTTNPC1KDM4EALDH1A1
SCHEMBL31662132 0.81 CPT2 (0.32) CPT2CPT1ATTKNPC1CYP11B2
SCHEMBL31662272 0.80 KCNH2 (0.37) GCKHTTNPC1ALDH1A1
SCHEMBL31662623 0.79 MAPT (0.33) HTTNPC1KDM4EALDH1A1
SCHEMBL31662464 0.78 MPO (0.41) HTTNPC1KDM4EALDH1A1

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