SCHEMBL4386655

SCHEMBL4386655

FC(F)(F)c1cccc(SCCc2c[nH]cn2)c1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
HRH3 Q9Y5N1 1/20 0.41
GAA P10253 3/20 0.40
POLB P06746 1/20 0.40
ALDH1A1 P00352 3/20 0.39
HRH1 P35367 1/20 0.38
HRH4 Q9H3N8 1/20 0.38
ATM Q13315 2/20 0.36
HPGD P15428 1/20 0.36
XBP1 P17861 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
CDC7 O00311 1/20 0.36
DBF4 Q9UBU7 1/20 0.36

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
Oxalic Acid SCHEMBL7994745 0.93 GAA (0.46) KDM4EHRH3GAAPOLBALDH1A1
SCHEMBL4379848 0.80 KMT2A (0.38) KDM4EPOLBALDH1A1HRH1HRH4
SCHEMBL13636333 0.78 ALDH1A1 (0.47) ALDH1A1
SCHEMBL223971 0.78 TAAR1 (0.51) HRH1HRH4CDC7DBF4
SCHEMBL4379715 0.77 HTR2A (0.40) KDM4EGAAALDH1A1ATMHPGD
SCHEMBL4385045 0.76 L3MBTL1 (0.47) KDM4EHRH3GAAALDH1A1L3MBTL1
SCHEMBL4385050 0.75 LMNA (0.48) KDM4EHRH3GAAALDH1A1L3MBTL1
SCHEMBL4379711 0.74 HRH3 (0.43) HRH3ALDH1A1HPGD
SCHEMBL7974390 0.73 TAAR1 (0.43) GAA
SCHEMBL3834388 0.73 TAAR1 (0.46)

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-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed