SCHEMBL31661959

SCHEMBL31661959

Cn1ncc2cc(C(N)=O)c(Oc3ccc(OCCC(=O)N4CCOCC4)cc3)cc21

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.52
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
RAB9A P51151 4/20 0.44
POLB P06746 3/20 0.44
NPC1 O15118 2/20 0.44
LMNA P02545 1/20 0.44
TP53 P04637 1/20 0.44
USP2 O75604 1/20 0.44
JAK2 O60674 1/20 0.40
ALDH1A1 P00352 2/20 0.39
TSHR P16473 1/20 0.39
FKBP1A P62942 4/20 0.39
HPGD P15428 3/20 0.39
KDM4E B2RXH2 2/20 0.39
GLA P06280 2/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
PDE2A O00408 1/20 0.39

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
SCHEMBL31662285 0.91 FKBP1A (0.50) RAB9APOLBNPC1LMNATP53
SCHEMBL31662140 0.91 GAA (0.46) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31661966 0.89 HPGD (0.39) GAARAB9ANPC1LMNAALDH1A1
SCHEMBL31662229 0.87 HRH3 (0.47) CYP1A2LMNAUSP2ALDH1A1TBK1
SCHEMBL31661856 0.86 GAA (0.35) GAAHPGDSMN1; SMN2
SCHEMBL31662493 0.84 L3MBTL1 (0.41) PDE2APDE3BPDE3AP2RY12AR
SCHEMBL31662174 0.83 TRPC6 (0.34) GAATBK1
SCHEMBL31661942 0.83 GAA (0.51) GAACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL31662042 0.82 IRAK4 (0.41) TBK1AR
SCHEMBL31662453 0.82 MKNK1 (0.39) AR

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