SCHEMBL28850441

SCHEMBL28850441

C[C](C)CN1CCN(S(=O)(=O)c2cccc(Br)c2)CC1

nearest known ligand 0.64

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.62
KMT2A Q03164 1/20 0.62
MBTD1 Q05BQ5 1/20 0.52
L3MBTL3 Q96JM7 1/20 0.52
ALDH1A1 P00352 3/20 0.51
MAPT P10636 2/20 0.50
GPR183 P32249 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
SIRT2 Q8IXJ6 1/20 0.48
POLB P06746 1/20 0.46
NSD2 O96028 1/20 0.46
THRB P10828 1/20 0.46
CHRNB2 P17787 1/20 0.46
CHRNB4 P30926 1/20 0.46
CHRNA3 P32297 1/20 0.46
CHRNA4 P43681 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
HTR6 P50406 1/20 0.45

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
SCHEMBL2379860 0.85 MEN1 (0.66) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL2378331 0.82 MEN1 (0.70) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL2379666 0.80 POLB (0.65) MEN1KMT2AMBTD1L3MBTL3POLB
SCHEMBL3384758 0.78 MBTD1 (0.68) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL263317 0.78 MBTD1 (0.73) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL265068 0.76 MBTD1 (0.71) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL3391959 0.76 MBTD1 (0.71) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL31689628 0.76 MBTD1 (0.71) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL4005746 0.76 GPR183 (0.60) MEN1KMT2AMBTD1L3MBTL3ALDH1A1
SCHEMBL30754633 0.76 GPR183 (0.57) MEN1KMT2AMBTD1L3MBTL3ALDH1A1

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
CN-107148417-A Benzo-aza * sulfonamide compounds 豪夫迈·罗氏有限公司 2017-09-08 CN disclosed