SCHEMBL25826016

SCHEMBL25826016

C/C=C1\C(=O)Nc2ccc(C3CCCCCC3)cc21

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.49
BRD4 O60885 2/20 0.39
TLK2 Q86UE8 3/20 0.39
MAPT P10636 3/20 0.38
HSP90AA1 P07900 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
TGM2 P21980 1/20 0.38
PDPK1 O15530 2/20 0.38
KMT2A Q03164 2/20 0.38
GAA P10253 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
MEN1 O00255 1/20 0.36
RET P07949 2/20 0.36
PDGFRB P09619 1/20 0.36
PRMT5 O14744 1/20 0.36
WDR77 Q9BQA1 1/20 0.36

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
SCHEMBL21238643 0.88 MAPKAPK2 (0.42) EPHX2BRD4MAPTHSP90AA1SMN1; SMN2
SCHEMBL21238708 0.88 MAPKAPK2 (0.42) EPHX2BRD4MAPTHSP90AA1SMN1; SMN2
SCHEMBL25825365 0.85 MAPT (0.48) EPHX2TLK2MAPTHSP90AA1SMN1; SMN2
SCHEMBL9098040 0.81 EPHX2 (0.55) EPHX2MAPTHSP90AA1TGM2KMT2A
SCHEMBL9053949 0.81 EPHX2 (0.55) EPHX2MAPTHSP90AA1TGM2KMT2A
SCHEMBL9097437 0.79 EPHX2 (0.53) EPHX2TGM2
SCHEMBL20726359 0.79 PRKAB2 (0.42) EPHX2MAPTHSP90AA1KMT2AGAA
Formic Acid SCHEMBL27886080 0.73 TGM2 (0.44) EPHX2TGM2
SCHEMBL11519137 0.72 MAOA (0.55) EPHX2MAPTHSP90AA1KMT2AGAA
SCHEMBL8363166 0.72 MEN1 (0.61) BRD4MAPTIDO1TDO2TGM2

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