SCHEMBL26065151

SCHEMBL26065151

Cc1nc(Br)ccc1S(=O)(=O)N1CCN(C2CCOCC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
HSD11B1 P28845 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ABL1 P00519 1/20 0.39
BCR P11274 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
MAPK1 P28482 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
HPGD P15428 1/20 0.38
NAMPT P43490 2/20 0.38
BRD4 O60885 2/20 0.38
BRD2 P25440 2/20 0.38
BRD3 Q15059 2/20 0.38

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
SCHEMBL26064891 0.86 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2HSD11B1KDM4EKMT2A
SCHEMBL25370107 0.85 SMN1; SMN2 (0.35) ALDH1A1SMN1; SMN2HSD11B1KDM4EABL1
SCHEMBL26065298 0.84 NAMPT (0.39) ALDH1A1SMN1; SMN2HSD11B1KDM4EMEN1
SCHEMBL26065408 0.83 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL26064898 0.83 MEN1 (0.43) ALDH1A1SMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL26065947 0.81 L3MBTL1 (0.50) ALDH1A1SMN1; SMN2HSD11B1KDM4EMEN1
SCHEMBL26065410 0.80 ALDH1A1 (0.37) ALDH1A1SMN1; SMN2HSD11B1KDM4EMEN1
SCHEMBL26065925 0.80 HSD11B1 (0.38) ALDH1A1SMN1; SMN2HSD11B1KDM4EMEN1
SCHEMBL26064849 0.77 ALDH1A1 (0.68) ALDH1A1SMN1; SMN2ABL1BCRMEN1
SCHEMBL26065503 0.76 DDR1 (0.39) ALDH1A1SMN1; SMN2HSD11B1MEN1KMT2A

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