SCHEMBL4054338

SCHEMBL4054338

CS(=O)(=O)N1CCN(CCNCI)CC1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
KDM1A O60341 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TSHR P16473 1/20 0.38
KDM4E B2RXH2 1/20 0.38
TDP1 Q9NUW8 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PTGS2 P35354 1/20 0.34
MAPT P10636 1/20 0.34
CYP2D6 P10635 1/20 0.33
HTR4 Q13639 1/20 0.33
HRH2 P25021 1/20 0.33
HRH1 P35367 1/20 0.33
LOX P28300 1/20 0.33

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
SCHEMBL11249172 0.79 CARM1 (0.54) ALDH1A1KDM1AMEN1KMT2ATSHR
SCHEMBL14500308 0.78 ALDH1A1 (0.43) ALDH1A1KDM1AMEN1KMT2ATSHR
SCHEMBL1098206 0.77 KDM1A (0.45) ALDH1A1KDM1AMEN1KMT2ATSHR
SCHEMBL4049413 0.77 ACE2 (0.46) ALDH1A1KDM1AACE2TSHRHTR4
SCHEMBL12607000 0.75 MEN1 (0.44) ALDH1A1KDM1AMEN1KMT2ATSHR
SCHEMBL16601547 0.75 CACNA1H (0.43) ALDH1A1KDM1AMEN1KMT2ATSHR
SCHEMBL9836417 0.74 ALDH1A1 (0.52) ALDH1A1KDM1AMEN1KMT2ATSHR
SCHEMBL1100792 0.73 KDM1A (0.43) ALDH1A1KDM1AKDM4ETDP1SMN1; SMN2
SCHEMBL10262951 0.72 MEN1 (0.46) ALDH1A1KDM1AMEN1KMT2AKDM4E
SCHEMBL21730437 0.72 ALDH1A1 (0.40) ALDH1A1KDM1AMEN1KMT2ATSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2038264-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed