SCHEMBL24196889

SCHEMBL24196889

CCCN[S+]([O-])c1ccc(C2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
HTR1D P28221 1/20 0.32
DRD2 P14416 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
EBP Q15125 1/20 0.31
SPHK1 Q9NYA1 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SERPINE1 P05121 1/20 0.30

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
SCHEMBL24196882 0.85 HAO1 (0.39) HRH3SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL24196020 0.72 PRMT6 (0.35) KCNH2
SCHEMBL24196886 0.71 MAPT (0.35) ALDH1A1LMNAMAPT
SCHEMBL24196890 0.71 PTPN1 (0.37) HRH3SMN1; SMN2ALDH1A1MAPT
SCHEMBL24196887 0.70 CA2 (0.34) SMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL24196865 0.69 SIGMAR1 (0.36) LMNAMAPT
SCHEMBL24196877 0.69 ALDH1A1 (0.43) HRH3ALDH1A1LMNAMAPT
SCHEMBL12603832 0.68 HRH3 (0.41) KCNH2HRH3HTR1DDRD2SPHK1
SCHEMBL24196900 0.67 HDAC1 (0.37) HTR1DSMN1; SMN2ALDH1A1LMNAMAPT
SCHEMBL24196866 0.66 MEN1 (0.43) SMN1; SMN2ALDH1A1LMNA

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-2022008475-A1 INDOLE DERIVATIVES AND USES THEREOF FOR TREATING A CANCER UNIVERSITE CLAUDE BERNARD LYON 1 (FR) 2022-01-13 WO disclosed