SCHEMBL2555072

SCHEMBL2555072

CN1CCC(CNS(=O)(=O)c2ccc(CNC3CCCC3)cc2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.49
HRH3 Q9Y5N1 6/20 0.49
HDAC4 P56524 1/20 0.49
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 2/20 0.45
CTSL P07711 1/20 0.45
CTSB P07858 1/20 0.45
CTSK P43235 1/20 0.45
ALDH1A1 P00352 7/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
PKM P14618 1/20 0.43
USP2 O75604 1/20 0.43
LMNA P02545 1/20 0.43
FABP6 P51161 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
SCHEMBL2553885 0.81 SMN1; SMN2 (0.56) KCNH2HRH3KMT2AMEN1ALDH1A1
SCHEMBL14819973 0.79 ALDH1A1 (0.68) HDAC4KMT2AMEN1POLBCTSL
SCHEMBL2553125 0.76 SMN1; SMN2 (0.47) KMT2AMEN1POLBALDH1A1SMN1; SMN2
SCHEMBL2549845 0.75 HTR2A (0.67) ALDH1A1
SCHEMBL2555154 0.72 KDM4E (0.48) KCNH2HRH3POLBALDH1A1SMN1; SMN2
SCHEMBL2547933 0.72 KDM4E (0.48) KCNH2HRH3POLBALDH1A1SMN1; SMN2
SCHEMBL7716908 0.72 KDM4E (0.48) KCNH2HRH3POLBALDH1A1SMN1; SMN2
SCHEMBL2555109 0.72 KDM4E (0.48) KCNH2HRH3POLBALDH1A1SMN1; SMN2
SCHEMBL7716923 0.71 SMN1; SMN2 (0.54) KCNH2HRH3KMT2AMEN1POLB
SCHEMBL2551564 0.71 HRH3 (0.45) KCNH2HRH3POLBALDH1A1SMN1; SMN2

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
WO-2011121309-A1 PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-06 WO disclosed
WO-2011121309-A1 PHENYL SULFONYL DERIVATIVES AND THEIR USE AS HISTAMINE H3 ANTAGONISTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-06 WO disclosed