SCHEMBL25811795

SCHEMBL25811795

CCOC(=O)c1cc2ccc(N3CCC(C)(O)C3)cc2s1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN2 P17706 2/20 0.40
CHRNA7 P36544 3/20 0.39
MAPT P10636 6/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
ATM Q13315 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SENP7 Q9BQF6 1/20 0.38
SENP6 Q9GZR1 1/20 0.38
NR1H4 Q96RI1 3/20 0.37
LGMN Q99538 1/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
OPRM1 P35372 1/20 0.36
MEN1 O00255 1/20 0.35

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
SCHEMBL25298855 0.93 CHRNA7 (0.43) PTPN2CHRNA7MAPTGAAKDM4E
SCHEMBL31025994 0.93 CHRNA7 (0.43) PTPN2CHRNA7MAPTGAAKDM4E
SCHEMBL30492853 0.91 PTPN2 (0.42) PTPN2CHRNA7MAPTGAAKDM4E
SCHEMBL25301130 0.91 PTPN2 (0.42) PTPN2CHRNA7MAPTGAAKDM4E
SCHEMBL25810428 0.88 CHRNA7 (0.43) PTPN2CHRNA7MAPTGAAKDM4E
SCHEMBL25811797 0.88 HDAC1 (0.43) PTPN2CHRNA7MAPTKDM4ENR1H4
SCHEMBL30492874 0.88 CHRNA7 (0.43) PTPN2CHRNA7MAPTGAAKDM4E
SCHEMBL30492821 0.86 CHRNA7 (0.53) PTPN2CHRNA7MAPTGAAKDM4E
SCHEMBL25810390 0.86 CHRNA7 (0.53) PTPN2CHRNA7MAPTGAAKDM4E
SCHEMBL25296886 0.85 PTPN2 (0.40) PTPN2CHRNA7MAPTGAAKDM4E

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-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