SCHEMBL26066147

SCHEMBL26066147

O=S(=O)(c1ccc(C(F)(F)F)nc1C1CC1)N1CCN(CC2COC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.42
TPSAB1 Q15661 1/20 0.37
KDM2B Q8NHM5 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR7 P34969 1/20 0.35
HTR6 P50406 1/20 0.35
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA2 P00918 1/20 0.34
POLB P06746 1/20 0.34
HPGD P15428 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL26066067 0.92 KCNH2 (0.43) KCNH2TPSAB1CA2
SCHEMBL26065616 0.87 KMT2A (0.37) KCNH2TPSAB1KDM2BKMT2AMEN1
SCHEMBL25368937 0.87 KCNH2 (0.35) KCNH2MEN1
SCHEMBL26065891 0.85 TRPV4 (0.41) KCNH2TPSAB1KDM2BKMT2AMEN1
SCHEMBL26065762 0.81 EBP (0.39) KCNH2TPSAB1KDM2BKMT2AMEN1
SCHEMBL26065919 0.81 EBP (0.39) KCNH2TPSAB1KDM2BKMT2AMEN1
SCHEMBL26065920 0.81 EBP (0.39) KCNH2TPSAB1KDM2BKMT2AMEN1
SCHEMBL26066093 0.80 MEN1 (0.41) KMT2AMEN1KDM4EALDH1A1SMN1; SMN2
SCHEMBL25371219 0.79 PSEN1 (0.37) KCNH2CA2
SCHEMBL26065774 0.79 TLR7 (0.42) KCNH2TPSAB1KDM2BHTR1AKMT2A

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