SCHEMBL25810757

SCHEMBL25810757

CCOC(=O)c1cc2ccc(N3CCC(N(C)C)CC3)cc2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.45
TMEM97 Q5BJF2 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
PDE5A O76074 1/20 0.40
PTPN2 P17706 2/20 0.39
PLK1 P53350 4/20 0.39
CHRNA7 P36544 2/20 0.39
MAPT P10636 5/20 0.39
GAA P10253 1/20 0.38
STAT3 P40763 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPC1 O15118 1/20 0.37
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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
SCHEMBL30492806 1.00 LGMN (0.45) LGMNTMEM97SIGMAR1PDE5APTPN2
SCHEMBL25810272 0.88 LGMN (0.47) LGMNPTPN2CHRNA7MAPTGAA
SCHEMBL30492838 0.88 LGMN (0.47) LGMNPTPN2CHRNA7MAPTGAA
SCHEMBL30492883 0.84 CHRNA7 (0.42) TMEM97SIGMAR1PLK1CHRNA7STAT3
SCHEMBL25810758 0.84 CHRNA7 (0.42) TMEM97SIGMAR1PLK1CHRNA7STAT3
SCHEMBL31025971 0.84 LGMN (0.43) LGMNPTPN2CHRNA7MAPTGAA
SCHEMBL30492857 0.84 LGMN (0.43) LGMNPTPN2CHRNA7MAPTGAA
SCHEMBL25809773 0.83 HRH4 (0.43) LGMNPTPN2MAPTGAAKDM4E
SCHEMBL30492874 0.82 CHRNA7 (0.43) LGMNPTPN2CHRNA7MAPTGAA
SCHEMBL31025977 0.82 LGMN (0.51) LGMNMAPTGAAKDM4ENPC1

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
CN-118488951-A Fused bicyclic heteroaryl amide compounds as inhibitors of protein aggregation 上海京新生物医药有限公司 2024-08-13 CN disclosed
WO-2023125376-A1 FUSED BICYCLIC HETEROARYL AMIDE COMPOUND AS PROTEIN AGGREGATION INHIBITOR 上海京新生物医药有限公司 2023-07-06 WO disclosed