SCHEMBL25810390

SCHEMBL25810390

CCOC(=O)c1cc2ccc(N3CCC(F)(F)CC3)cc2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.53
PTPN2 P17706 2/20 0.43
NR1H4 Q96RI1 2/20 0.40
MAPT P10636 4/20 0.39
GAA P10253 1/20 0.39
LGMN Q99538 1/20 0.39
KDM4E B2RXH2 4/20 0.38
TDP1 Q9NUW8 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
NPC1 O15118 1/20 0.38
CASP3 P42574 1/20 0.38
RAB9A P51151 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
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL30492821 1.00 CHRNA7 (0.53) CHRNA7PTPN2NR1H4MAPTGAA
SCHEMBL25810428 0.91 CHRNA7 (0.43) CHRNA7PTPN2NR1H4MAPTGAA
SCHEMBL30492874 0.91 CHRNA7 (0.43) CHRNA7PTPN2NR1H4MAPTGAA
SCHEMBL25298855 0.90 CHRNA7 (0.43) CHRNA7PTPN2NR1H4MAPTGAA
SCHEMBL31025994 0.90 CHRNA7 (0.43) CHRNA7PTPN2NR1H4MAPTGAA
SCHEMBL17843055 0.87 CHRNA7 (0.58) CHRNA7PTPN2NR1H4MAPTKDM4E
SCHEMBL30492882 0.86 CHRNA7 (0.40) CHRNA7PTPN2NR1H4MAPTGAA
SCHEMBL25811795 0.86 PTPN2 (0.40) CHRNA7PTPN2NR1H4MAPTGAA
SCHEMBL25809773 0.85 HRH4 (0.43) PTPN2MAPTGAALGMNKDM4E
SCHEMBL31025983 0.84 OGA (0.43) CHRNA7PTPN2MAPTGAALGMN

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