SCHEMBL5064080

SCHEMBL5064080

Cc1nc(-c2ccc(OCCCCCOc3ccc(C(=N)N)c(O)c3)cc2)c(C(=O)NCCCn2ccnc2)s1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.50
MAPK1 P28482 2/20 0.50
HTT P42858 2/20 0.50
GAA P10253 2/20 0.47
USP2 O75604 1/20 0.46
KDM4E B2RXH2 2/20 0.46
NAMPT P43490 6/20 0.46
ALDH1A1 P00352 2/20 0.45
KMT2A Q03164 2/20 0.45
TP53 P04637 1/20 0.45
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
PRNP P04156 1/20 0.43
POLB P06746 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
LMNA P02545 1/20 0.43
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.42

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
SCHEMBL729312 0.84 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1HTTGAAUSP2
SCHEMBL5064083 0.84 SMN1; SMN2 (0.57) SMN1; SMN2MAPK1HTTGAAUSP2
SCHEMBL1779323 0.83 L3MBTL1 (0.57) SMN1; SMN2MAPK1HTTGAAUSP2
SCHEMBL2809845 0.74 HTT (0.42) SMN1; SMN2MAPK1HTTGAAKDM4E
SCHEMBL14553828 0.72 ALDH1A1 (0.69) MAPK1GAAUSP2KDM4EALDH1A1
SCHEMBL3346074 0.71 MEN1 (0.35) KMT2AMEN1
SCHEMBL7901133 0.69 SMN1; SMN2 (0.49) SMN1; SMN2MAPK1HTTGAAKDM4E
SCHEMBL727848 0.69 SMN1; SMN2 (0.47) SMN1; SMN2MAPK1HTTGAAKDM4E
SCHEMBL727417 0.69 SMN1; SMN2 (0.46) SMN1; SMN2MAPK1HTTGAAKDM4E
SCHEMBL727667 0.68 NOS1 (0.44) SMN1; SMN2MAPK1HTTGAAKDM4E

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 2 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