SCHEMBL3391920

SCHEMBL3391920

CS(=O)(=O)CCN1CCCCC1C(N)=O

nearest known ligand 0.36

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KCNK3 O14649 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 4/20 0.34
POLB P06746 2/20 0.34
TSHR P16473 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.33
SPHK1 Q9NYA1 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.32
SLC6A1 P30531 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL8427913 0.95 POLB (0.36) KCNK3LMNASMN1; SMN2POLBSPHK1
SCHEMBL8427900 0.81 SMN1; SMN2 (0.38) KCNK3LMNASMN1; SMN2POLBTSHR
SCHEMBL3969870 0.80 LMNA (0.52) KCNK3LMNASMN1; SMN2POLBTSHR
SCHEMBL20143218 0.80 LMNA (0.52) KCNK3LMNASMN1; SMN2POLBTSHR
SCHEMBL8246334 0.79 POLB (0.34) LMNASMN1; SMN2POLBKDM4ESPHK1
SCHEMBL8245000 0.79 POLB (0.34) LMNASMN1; SMN2POLBSPHK1HTT
Hydrochloric Acid SCHEMBL28153235 0.79 LMNA (0.51) KCNK3LMNASMN1; SMN2POLBTSHR
SCHEMBL3388069 0.78 HTT (0.44) KCNK3LMNASMN1; SMN2POLBTSHR
SCHEMBL25833199 0.78 HTT (0.44) KCNK3LMNASMN1; SMN2POLBTSHR
SCHEMBL2563563 0.78 LMNA (0.38) KCNK3LMNASMN1; SMN2POLBTSHR

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-2167492-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS Hanmi Pharm. Co., Ltd. (KR) 2010-03-31 EP disclosed
WO-2008150118-A2 NOVEL AMIDE DERIVATIVE FOR INHIBITING THE GROWTH OF CANCER CELLS HANMI PHARM. CO., LTD. (KR) 2008-12-11 WO disclosed