SCHEMBL5067409

SCHEMBL5067409

N=C(NO)c1ccc(OCCCCCOc2ccc(-c3nc(-c4cccnc4)sc3CCc3ncc[nH]3)cc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.41
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
POLB P06746 2/20 0.41
GFER P55789 1/20 0.38
ATP4A P20648 4/20 0.37
ATP4B P51164 4/20 0.37
HTT P42858 3/20 0.36
MEN1 O00255 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
AGER Q15109 4/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP19A1 P11511 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35

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
SCHEMBL728850 0.87 MAPT (0.44) MAPTKDM4EALDH1A1POLBGFER
SCHEMBL728998 0.86 ATP4A (0.47) MAPTKDM4EALDH1A1POLBGFER
SCHEMBL729191 0.85 ATP4A (0.49) MAPTKDM4EALDH1A1POLBGFER
SCHEMBL1777344 0.84 MEN1 (0.38) MEN1KMT2AAGERCYP3A4CYP2D6
SCHEMBL727660 0.83 KDM4E (0.46) MAPTKDM4EALDH1A1POLBGFER
SCHEMBL728926 0.82 ATP4A (0.51) MAPTKDM4EALDH1A1POLBATP4A
SCHEMBL1777125 0.82 NAMPT (0.36) AGERCYP3A4CYP2D6CYP19A1CYP2C9
SCHEMBL728923 0.82 HRH1 (0.41) MAPTKDM4EALDH1A1POLBGFER
SCHEMBL728890 0.82 AGER (0.49) MAPTKDM4EALDH1A1POLBGFER
SCHEMBL727567 0.81 MAPT (0.41) MAPTKDM4EALDH1A1POLBGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1979334-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong Wha Pharmaceutical. Ind. Co., Ltd. (KR) 2008-10-15 EP claimed
WO-2007089101-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL IND.CO., LTD. (KR) 2007-08-09 WO claimed
EP-1979334-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME Dong Wha Pharmaceutical. Ind. Co., Ltd. (KR) 2008-10-15 EP disclosed
WO-2007089101-A1 NOVEL BENZAMIDINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITION COMPRISING THE SAME DONG WHA PHARMACEUTICAL IND.CO., LTD. (KR) 2007-08-09 WO disclosed