SCHEMBL8232005

SCHEMBL8232005

O=C(CN(CCO)Cc1ccccc1)N1CCC(NS(=O)(=O)c2cccc(C(F)(F)F)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SFRP1 Q8N474 9/20 0.51
WNT3 P56703 5/20 0.51
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HTR1A P08908 1/20 0.47
HTR7 P34969 1/20 0.47
UBE2M P61081 1/20 0.44
DCUN1D1 Q96GG9 1/20 0.44
IDH2 P48735 2/20 0.44
PKLR P30613 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
HDAC8 Q9BY41 1/20 0.43

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
SCHEMBL3485050 0.83 HPGD (0.48) MEN1KMT2ANPSR1UBE2MDCUN1D1
SCHEMBL5325345 0.74 USP2 (0.49) MEN1KMT2ANPSR1UBE2MDCUN1D1
SCHEMBL8234373 0.73 LMNA (0.49) SFRP1MEN1KMT2AHTR1AHTR7
SCHEMBL8269931 0.73 EPHX2 (0.44) SFRP1WNT3HTR1AHTR7IDH2
SCHEMBL4281416 0.71 STS (0.60) SFRP1WNT3HTR1AHTR7HDAC8
SCHEMBL2420848 0.71 CA1 (0.62) KMT2ANPSR1HTR1AHTR7IDH2
SCHEMBL3485323 0.71 ALDH1A1 (0.49) SFRP1WNT3HTR1AHTR7IDH2
SCHEMBL23052376 0.70 HTR1A (0.61) SFRP1HTR1AHTR7PKLRHPGD
SCHEMBL8044831 0.69 CACNA1B (0.60) MEN1KMT2ANPSR1HPGDHTT
SCHEMBL5503404 0.69 SFRP1 (0.45) SFRP1WNT3HTR1AHTR7HPGD

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-2007118853-A1 BENZENESULFONAMIDE COMPOUNDS AND THEIR USE AS BLOCKERS OF CALCIUM CHANNELS EURO-CELTIQUE S.A. (LU) 2007-10-25 WO disclosed