SCHEMBL25810272

SCHEMBL25810272

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LGMN Q99538 2/20 0.47
MAPT P10636 6/20 0.45
NPSR1 Q6W5P4 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
KDM4E B2RXH2 3/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
USP2 O75604 1/20 0.41
PTPN2 P17706 2/20 0.41
ERBB2 P04626 1/20 0.41
HSD17B10 Q99714 2/20 0.41
CHRNA7 P36544 2/20 0.41
GAA P10253 1/20 0.40
RAB9A P51151 2/20 0.39
ALOX15 P16050 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
SCHEMBL30492838 1.00 LGMN (0.47) LGMNMAPTNPSR1MEN1KMT2A
SCHEMBL30492806 0.88 LGMN (0.45) LGMNMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL25810757 0.88 LGMN (0.45) LGMNMAPTALDH1A1KDM4ESMN1; SMN2
SCHEMBL30492857 0.87 LGMN (0.43) LGMNMAPTMEN1KMT2AALDH1A1
SCHEMBL31025971 0.87 LGMN (0.43) LGMNMAPTMEN1KMT2AALDH1A1
SCHEMBL25809773 0.86 HRH4 (0.43) LGMNMAPTALDH1A1HPGDKDM4E
SCHEMBL30492874 0.85 CHRNA7 (0.43) LGMNMAPTMEN1KMT2AALDH1A1
SCHEMBL31025977 0.85 LGMN (0.51) LGMNMAPTNPSR1MEN1KMT2A
SCHEMBL31026002 0.85 KDM4E (0.47) MAPTALDH1A1KDM4ESMN1; SMN2PTPN2
SCHEMBL30492856 0.85 LGMN (0.51) LGMNMAPTNPSR1MEN1KMT2A

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