SCHEMBL8730265

SCHEMBL8730265

[CH2]CCc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1

nearest known ligand 0.71

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.71
USP2 O75604 1/20 0.71
ATM Q13315 1/20 0.59
POLB P06746 1/20 0.58
TSHR P16473 3/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
HTT P42858 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
LMNA P02545 1/20 0.55
LSS P48449 1/20 0.52
APOBEC3A P31941 2/20 0.51
APOBEC3G Q9HC16 2/20 0.51
CASP1 P29466 1/20 0.51
CASP7 P55210 1/20 0.51
HSD17B10 Q99714 1/20 0.51
CYP2C9 P11712 1/20 0.51

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
SCHEMBL8729244 0.87 SMN1; SMN2 (0.76) SMN1; SMN2USP2ATMPOLBTSHR
SCHEMBL12189230 0.82 SMN1; SMN2 (0.78) SMN1; SMN2USP2ATMPOLBTSHR
SCHEMBL8726108 0.81 MAPT (0.59) SMN1; SMN2USP2LMNA
SCHEMBL8723804 0.81 LMNA (0.68) SMN1; SMN2POLBTSHRKMT2AMEN1
SCHEMBL25081110 0.81 SMN1; SMN2 (0.76) SMN1; SMN2USP2ATMPOLBTSHR
SCHEMBL568444 0.81 SMN1; SMN2 (0.76) SMN1; SMN2USP2ATMPOLBTSHR
SCHEMBL19602434 0.81 SMN1; SMN2 (0.76) SMN1; SMN2USP2ATMPOLBTSHR
SCHEMBL12315302 0.79 SMN1; SMN2 (0.73) SMN1; SMN2USP2ATMPOLBTSHR
SCHEMBL6882566 0.79 SMN1; SMN2 (0.73) SMN1; SMN2USP2ATMPOLBTSHR
SCHEMBL8728928 0.78 ATM (0.69) SMN1; SMN2USP2ATMPOLBTSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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