SCHEMBL26065442

SCHEMBL26065442

COc1cc(S(=O)(=O)N2CCN(C3CCOCC3)CC2)n(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.41
▸ GAA P10253 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.38
▸ HPGD P15428 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ BRD3 Q15059 1/20 0.37
▸ CYP2D6 P10635 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ PDE7A Q13946 1/20 0.36
▸ USP2 O75604 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ NAMPT P43490 2/20 0.35
▸ HTT P42858 1/20 0.35
▸ TNF P01375 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ TDP1 Q9NUW8 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
SCHEMBL26065956 0.86 HPGD (0.39) KDM4EGAAALDH1A1HPGDPDE7A
SCHEMBL25368145 0.85 ALDH1A1 (0.33) KDM4EGAAALDH1A1HPGDCYP2D6
SCHEMBL26066065 0.82 HPGD (0.38) KDM4EGAAALDH1A1HPGDPDE7A
SCHEMBL26065421 0.81 HPGD (0.37) KDM4EGAAALDH1A1HPGDPDE7A
SCHEMBL25365278 0.81 BRD4 (0.35) KDM4EALDH1A1HPGDBRD4BRD2
SCHEMBL26064882 0.81 MEN1 (0.39) KDM4EGAAALDH1A1HPGDPDE7A
SCHEMBL26065959 0.81 PDE7A (0.39) KDM4EALDH1A1HPGDPDE7ANAMPT
SCHEMBL26065952 0.80 MEN1 (0.38) KDM4EGAAALDH1A1HPGDPDE7A
SCHEMBL27034424 0.79 CHRM4 (0.35) KDM4EALDH1A1HPGDBRD4BRD2
SCHEMBL26065964 0.75 ALDH1A1 (0.46) KDM4EGAAALDH1A1BRD4BRD2

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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