SCHEMBL25825365

SCHEMBL25825365

O=C1Nc2ccc(C3CCCCC3)cc2/C1=C/C1CCCCCCC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.48
HSP90AA1 P07900 2/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
EPHX2 P34913 2/20 0.48
TLK2 Q86UE8 3/20 0.38
MYC P01106 1/20 0.38
MAX P61244 1/20 0.38
GAA P10253 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PRMT5 O14744 1/20 0.35
WDR77 Q9BQA1 1/20 0.35
ACMSD Q8TDX5 1/20 0.35
IDO1 P14902 1/20 0.35
TDO2 P48775 1/20 0.35
TGM2 P21980 1/20 0.35
LRRK2 Q5S007 1/20 0.35
RAF1 P04049 1/20 0.34
APP P05067 1/20 0.34

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
SCHEMBL25826016 0.85 EPHX2 (0.49) MAPTHSP90AA1SMN1; SMN2EPHX2TLK2
SCHEMBL7472296 0.82 MAPT (0.69) MAPTHSP90AA1SMN1; SMN2IDO1TDO2
SCHEMBL7472301 0.82 MAPT (0.69) MAPTHSP90AA1SMN1; SMN2IDO1TDO2
SCHEMBL9053949 0.80 EPHX2 (0.55) MAPTHSP90AA1EPHX2GAAKMT2A
SCHEMBL9098040 0.80 EPHX2 (0.55) MAPTHSP90AA1EPHX2GAAKMT2A
SCHEMBL9097437 0.78 EPHX2 (0.53) EPHX2TGM2
SCHEMBL6855417 0.74 HSP90AA1 (0.74) MAPTHSP90AA1SMN1; SMN2KMT2ATGM2
SCHEMBL6833995 0.74 HSP90AA1 (0.74) MAPTHSP90AA1SMN1; SMN2KMT2ATGM2
SCHEMBL249878 0.74 MAPT (0.55) MAPTHSP90AA1SMN1; SMN2GAAKMT2A
SCHEMBL249877 0.74 MAPT (0.55) MAPTHSP90AA1SMN1; SMN2GAAKMT2A

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-2023133375-A1 MACROCYCLIC COMPOUNDS AND USE AS KINASE INHIBITORS BLOSSOMHILL THERAPEUTICS, INC. (US) 2023-07-13 WO disclosed