SCHEMBL8439322

SCHEMBL8439322

CC1(C)COC(c2cccc(-c3csc(Cl)c3)c2)=N1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.46
HRH3 Q9Y5N1 2/20 0.45
ROCK1 Q13464 1/20 0.44
HTT P42858 2/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.39
IL2 P60568 1/20 0.37
ATM Q13315 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP2D6 P10635 1/20 0.35
CACNA1B Q00975 1/20 0.34
KCNH2 Q12809 1/20 0.34

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
SCHEMBL20410843 0.83 KDM4E (0.59) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL471881 0.83 KDM4E (0.62) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL8444082 0.81 KDM4E (0.50) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL20410735 0.79 KDM4E (0.54) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL8491691 0.79 HPGD (0.55) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL8444690 0.78 KDM4E (0.44) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL8439281 0.78 ROCK1 (0.46) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL8442835 0.78 KDM4E (0.50) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL29689817 0.77 KDM4E (0.53) KDM4EHRH3ROCK1HTTLMNA
SCHEMBL20396188 0.77 KDM4E (0.53) KDM4EHRH3ROCK1HTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1070173-C Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 2001-08-29 CN disclosed
US-5968985-A INHIBITORS OF SODIUM ION/HYDROGEN ION EXCHANGE IN CELLS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-10-19 US disclosed
CN-1158606-A Benzoylguanidine derivatives as medicaments FUJISAWA PHARMACEUTICAL CO (JP) 1997-09-03 CN disclosed
EP-0773927-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-05-21 EP disclosed
WO-1996004241-A2 BENZOYLGUANIDINE DERIVATIVES AS MEDICAMENTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-02-15 WO disclosed