SCHEMBL5069472

SCHEMBL5069472

CCCN(CCc1sc(C(C)C)nc1-c1ccc(OCCCCCOc2ccc(C(=N)NO)cc2)cc1)n1ccnc1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AGER Q15109 11/20 0.37
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GAA P10253 1/20 0.33
CYP19A1 P11511 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
ATP4A P20648 2/20 0.31
ATP4B P51164 2/20 0.31
PPARG P37231 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
MAPT P10636 1/20 0.30

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
SCHEMBL1777794 0.90 AGER (0.39) AGERMAPK1HTTSMN1; SMN2GAA
SCHEMBL1780806 0.89 AGER (0.42) AGERMAPK1HTTSMN1; SMN2GAA
SCHEMBL727418 0.84 MAPK1 (0.43) MAPK1HTTSMN1; SMN2GAAATP4A
SCHEMBL729009 0.84 AGER (0.43) AGERATP4AATP4BPPARG
SCHEMBL3626276 0.83 MAPK1 (0.37) AGERMAPK1HTTSMN1; SMN2GAA
SCHEMBL727963 0.80 SMN1; SMN2 (0.44) MAPK1HTTSMN1; SMN2GAAATP4A
SCHEMBL727498 0.80 ATP4A (0.40) HRH3ATP4AATP4BPPARGCYP2D6
SCHEMBL1777125 0.77 NAMPT (0.36) AGERCYP19A1CYP1A2CYP3A4CYP2D6
SCHEMBL727354 0.77 LSS (0.35) AGERSMN1; SMN2HRH3MAPT
SCHEMBL729451 0.76 AGER (0.46) AGERHRH3

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