SCHEMBL9537385

SCHEMBL9537385

CCN(CC)CCNC(=O)c1ccc(N)c(Sc2ccc(F)cc2F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.55
ALDH1A1 P00352 3/20 0.52
LMNA P02545 2/20 0.52
SLC22A2 O15244 1/20 0.52
SLC22A1 O15245 1/20 0.52
TSHR P16473 1/20 0.52
ACHE P22303 1/20 0.52
MAPK1 P28482 1/20 0.52
CYP2C19 P33261 1/20 0.52
POLB P06746 2/20 0.52
BLM P54132 2/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 2/20 0.47
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 1/20 0.45
MET P08581 1/20 0.44
NFKB1 P19838 1/20 0.44
KCNH2 Q12809 1/20 0.44

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
SCHEMBL9535539 0.86 MAPK14 (0.42) ALDH1A1KDM4EHPGDHTR7MAPK14
SCHEMBL9535499 0.84 L3MBTL1 (0.52) L3MBTL1ALDH1A1LMNASLC22A2SLC22A1
Hydrochloric Acid SCHEMBL9539508 0.83 L3MBTL1 (0.53) L3MBTL1ALDH1A1LMNASLC22A2SLC22A1
Diethylamine SCHEMBL9537391 0.83 MAPK14 (0.41) ALDH1A1KDM4EHPGDHTR7MAPK14
SCHEMBL9537015 0.80 MAPK14 (0.48) ALDH1A1CYP2C19KDM4EHPGDCYP3A4
SCHEMBL9537379 0.79 ALDH1A1 (0.37) ALDH1A1LMNAKDM4EHPGDMAPK14
SCHEMBL9535978 0.78 MAPT (0.53) ALDH1A1LMNATSHRMAPK1BLM
SCHEMBL9538792 0.77 MAPT (0.40) ALDH1A1TSHRKMT2AKDM4EHPGD
SCHEMBL2956109 0.77 ALDH1A1 (0.71) ALDH1A1LMNASLC22A2SLC22A1TSHR
SCHEMBL9536752 0.77 ALDH1A1 (0.43) ALDH1A1CYP2C19KMT2AKDM4EHPGD

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-0292979-B1 NEW ALKANESULFONANILIDE DERIVATIVES, PROCESSES FOR PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-07-21 EP disclosed
US-5034417-A Antiinflammatory agents or analgesics FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-07-23 US disclosed
EP-0292979-A2 New alkanesulfonanilide derivatives, processes for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1988-11-30 EP disclosed