SCHEMBL7267448

SCHEMBL7267448

C=C[CH]c1ccc(S(=O)(=O)N2CCOCC2)cc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.63
LMNA P02545 4/20 0.58
SMN1; SMN2 Q16637 3/20 0.58
KMT2A Q03164 3/20 0.56
GAA P10253 3/20 0.56
MEN1 O00255 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.52
MAPK1 P28482 1/20 0.52
TSHR P16473 2/20 0.52
ALDH1A1 P00352 2/20 0.51
HTT P42858 2/20 0.51
KDM4E B2RXH2 2/20 0.51
HSD17B10 Q99714 2/20 0.51
USP2 O75604 1/20 0.51
APOBEC3G Q9HC16 1/20 0.50

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
SCHEMBL29687970 0.87 POLB (0.67) POLBLMNASMN1; SMN2KMT2AGAA
SCHEMBL12793245 0.83 POLB (0.88) POLBLMNASMN1; SMN2KMT2AGAA
SCHEMBL847277 0.82 POLB (0.69) POLBLMNASMN1; SMN2KMT2AGAA
SCHEMBL7262000 0.81 MAPT (0.59) TSHRALDH1A1USP2
SCHEMBL4811982 0.81 POLB (0.63) POLBLMNASMN1; SMN2KMT2AGAA
Morpholine SCHEMBL28555331 0.80 POLB (0.56) POLBLMNASMN1; SMN2KMT2AGAA
SCHEMBL8726184 0.78 POLB (0.73) POLBLMNASMN1; SMN2KMT2AGAA
SCHEMBL3591766 0.78 POLB (0.63) POLBLMNASMN1; SMN2KMT2AGAA
SCHEMBL12793258 0.78 POLB (1.00) POLBLMNASMN1; SMN2KMT2AGAA
SCHEMBL8871272 0.76 POLB (0.76) POLBLMNASMN1; SMN2KMT2AGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US claimed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP claimed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP claimed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US claimed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP claimed
US-6596706-B1 For the treatment of circulatory diseases cerebral diseases DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-07-22 US disclosed
EP-1029872-A1 PIPERAZINE-CYCLODEXTRIN COMPLEXES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-08-23 EP disclosed
EP-0624584-B1 Piperazine derivatives useful as calmodulin inhibitors DAIICHI SEIYAKU CO (JP) 1998-08-19 EP disclosed
US-5681954-A HAS CALMODULIN INHIBITORY ACTIVITY; USEFUL IN TREATING DISEASES OF THE CIRCULATORY ORGANS OR IN CEREBRAL REGION DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1997-10-28 US disclosed
EP-0624584-A1 Piperazine derivatives useful as calmodolin inhibitors DAIICHI PHARMACEUTICAL CO., LTD. (JP) 1994-11-17 EP disclosed