SCHEMBL26066051

SCHEMBL26066051

CCSCCCN1CCN(S(=O)(=O)c2ccc(C(F)(F)F)nc2C)CC1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 4/20 0.43
▸ MEN1 O00255 3/20 0.43
▸ POLB P06746 1/20 0.38
▸ ALDH1A1 P00352 4/20 0.38
▸ GAA P10253 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ TRPV4 Q9HBA0 1/20 0.38
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ DRD2 P14416 6/20 0.37
▸ DRD3 P35462 6/20 0.37
▸ LMNA P02545 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.36
▸ SMN1; SMN2 Q16637 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
SCHEMBL25370662 0.87 TRPV4 (0.40) KMT2AMEN1TRPV4DRD2DRD3
SCHEMBL30567054 0.87 TRPV4 (0.40) KMT2AMEN1TRPV4DRD2DRD3
SCHEMBL26065980 0.83 POLB (0.54) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL26066022 0.81 L3MBTL1 (0.41) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL26066052 0.81 DRD2 (0.44) KMT2AMEN1ALDH1A1GAAMAPT
SCHEMBL26066053 0.80 L3MBTL1 (0.45) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL26065982 0.80 L3MBTL1 (0.39) KMT2AMEN1POLBALDH1A1MAPT
SCHEMBL26066023 0.80 TRPV4 (0.38) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL26065997 0.78 L3MBTL1 (0.38) KMT2AMEN1POLBALDH1A1GAA
SCHEMBL26065891 0.75 TRPV4 (0.41) KMT2AMEN1POLBALDH1A1GAA

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-2023164063-A1 EMOPAMIL-BINDING PROTEIN INHIBITORS AND USES THEREOF BIOGEN MA INC. (US) 2023-08-31 — — WO disclosed
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