SCHEMBL3408046

SCHEMBL3408046

COc1ccc(S(=O)(=O)N2CCCC(CNC(=O)c3ccccc3OC)(c3ccccc3)C2)cc1

nearest known ligand 0.63

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.63
KMT2A Q03164 5/20 0.63
ALDH1A1 P00352 2/20 0.63
SLC6A9 P48067 1/20 0.59
KCNA3 P22001 11/20 0.55
P2RX7 Q99572 1/20 0.52
HSD11B1 P28845 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL2890650 0.95 MEN1 (0.67) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL2888614 0.92 MEN1 (0.62) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL3413864 0.91 KMT2A (0.60) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL2887079 0.88 MEN1 (0.71) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL2890714 0.87 MEN1 (0.70) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL2891736 0.86 KMT2A (0.59) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL2888977 0.86 MEN1 (0.63) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL2886762 0.85 MEN1 (0.62) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL2883643 0.85 SLC6A9 (0.81) MEN1KMT2AALDH1A1SLC6A9KCNA3
SCHEMBL2883437 0.84 MEN1 (0.61) MEN1KMT2AALDH1A1SLC6A9KCNA3

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-2261210-B1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE MSD KK (JP) 2014-10-22 EP disclosed
EP-2261210-A1 3-SUBSTITUTED SULFONYL PIPERAZINE DERIVATIVE Banyu Pharmaceutical Co., Ltd. (JP) 2010-12-15 EP disclosed